##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
1'-Methyl-2''-phenylcyclohexane-1-spiro-4'-[acenapthene-1-spiro-2'-
pyrrolidine-3'-spiro-4''-[1,3]oxazole]-2,5''-dione
;
_chemical_name_common     ?
_chemical_formula_moiety     'C29 H26 N2 O3'
_chemical_formula_sum     'C29 H26 N2 O3'
_chemical_formula_iupac     'C29 H26 N2 O3'
_chemical_formula_weight     450.52
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     9.8626(8)
_cell_length_b     10.4697(9)
_cell_length_c     12.5629(11)
_cell_angle_alpha     114.0490(10)
_cell_angle_beta     103.9460(10)
_cell_angle_gamma     92.633(2)
_cell_volume     1134.39(17)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     2364
_cell_measurement_theta_min     2.46
_cell_measurement_theta_max     22.86
_cell_measurement_temperature     293(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     Colourless
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.319
_exptl_crystal_density_meas     none
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     476
_exptl_absorpt_coefficient_mu     0.086
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_device     ?
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     6911
_diffrn_reflns_av_R_equivalents     0.0131
_diffrn_reflns_av_sigmaI/netI     0.0245
_diffrn_reflns_theta_min     1.85
_diffrn_reflns_theta_max     28.00
_diffrn_reflns_theta_full     28.00
_diffrn_measured_fraction_theta_max     0.831
_diffrn_measured_fraction_theta_full     0.831
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -16
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     0
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR  and
 goodness of fit S are based on F², conventional R-factors R are  based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4539
_reflns_number_gt     3881
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0498
_refine_ls_R_factor_gt     0.0437
_refine_ls_wR_factor_gt     0.1267
_refine_ls_wR_factor_ref     0.1339
_refine_ls_goodness_of_fit_ref     1.002
_refine_ls_restrained_S_all     1.002
_refine_ls_number_reflns     4539
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
     'calc w = 1/[σ²(Fo²)+(0.0865P)²+0.1476P] where P = (Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.228
_refine_diff_density_min     -0.215
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2001)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics
                              'ORTEP-3 (Farrugia, 1997) and PLATON (Spek, 2003)'
_computing_publication_material     'SHELXL97 and PARST (Nardelli, 1995)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    _atom_site_type_symbol
    N1 0.73320(13) 0.51951(11) 0.12531(10) 0.0414(3) Uani d . 1 . . N
    C2 0.71827(14) 0.47724(13) 0.21897(11) 0.0360(3) Uani d . 1 . . C
    C3 0.72420(14) 0.31392(13) 0.15863(11) 0.0354(3) Uani d . 1 . . C
    C4 0.81518(15) 0.29656(13) 0.06586(11) 0.0382(3) Uani d . 1 . . C
    C5 0.84037(17) 0.44756(14) 0.07451(12) 0.0448(3) Uani d . 1 . . C
    H5A 0.9344 0.4963 0.1268 0.054 Uiso calc R 1 . . H
    H5B 0.8310 0.4440 -0.0054 0.054 Uiso calc R 1 . . H
    C6 0.75429(19) 0.67178(15) 0.16231(14) 0.0541(4) Uani d . 1 . . C
    H6A 0.6793 0.7114 0.1948 0.081 Uiso calc R 1 . . H
    H6B 0.7540 0.6897 0.0932 0.081 Uiso calc R 1 . . H
    H6C 0.8435 0.7146 0.2234 0.081 Uiso calc R 1 . . H
    C7 0.84145(14) 0.54700(13) 0.34298(11) 0.0371(3) Uani d . 1 . . C
    C8 0.77477(15) 0.59860(13) 0.44312(11) 0.0375(3) Uani d . 1 . . C
    C9 0.82978(17) 0.66077(14) 0.56753(12) 0.0445(3) Uani d . 1 . . C
    H9 0.9260 0.6702 0.6040 0.053 Uiso calc R 1 . . H
    C10 0.73530(19) 0.70953(16) 0.63764(13) 0.0518(4) Uani d . 1 . . C
    H10 0.7704 0.7501 0.7219 0.062 Uiso calc R 1 . . H
    C11 0.5938(2) 0.69967(16) 0.58670(14) 0.0519(4) Uani d . 1 . . C
    H11 0.5358 0.7349 0.6368 0.062 Uiso calc R 1 . . H
    C12 0.53417(16) 0.63657(14) 0.45867(13) 0.0431(3) Uani d . 1 . . C
    C13 0.62880(15) 0.58416(13) 0.39012(11) 0.0373(3) Uani d . 1 . . C
    C14 0.39243(18) 0.62220(17) 0.39247(15) 0.0525(4) Uani d . 1 . . C
    H14 0.3245 0.6526 0.4333 0.063 Uiso calc R 1 . . H
    C15 0.35471(17) 0.56358(17) 0.26829(16) 0.0547(4) Uani d . 1 . . C
    H15 0.2610 0.5570 0.2265 0.066 Uiso calc R 1 . . H
    C16 0.45207(16) 0.51246(16) 0.20071(14) 0.0489(3) Uani d . 1 . . C
    H16 0.4234 0.4747 0.1163 0.059 Uiso calc R 1 . . H
    C17 0.58900(15) 0.51969(14) 0.26193(12) 0.0387(3) Uani d . 1 . . C
    O18 0.96589(11) 0.56302(11) 0.35072(9) 0.0501(3) Uani d . 1 . . O
    N19 0.78571(12) 0.26748(11) 0.25228(9) 0.0362(3) Uani d . 1 . . N
    C20 0.69329(14) 0.17571(13) 0.24721(11) 0.0365(3) Uani d . 1 . . C
    O21 0.56460(10) 0.14201(10) 0.15923(9) 0.0453(3) Uani d . 1 . . O
    C22 0.57512(15) 0.22673(14) 0.09962(11) 0.0402(3) Uani d . 1 . . C
    O23 0.47807(11) 0.22209(11) 0.02056(9) 0.0536(3) Uani d . 1 . . O
    C24 0.70513(15) 0.10278(13) 0.32625(12) 0.0388(3) Uani d . 1 . . C
    C25 0.59548(18) 0.00177(15) 0.30784(14) 0.0506(4) Uani d . 1 . . C
    H25 0.5147 -0.0233 0.2427 0.061 Uiso calc R 1 . . H
    C26 0.6056(2) -0.06178(17) 0.38560(16) 0.0600(4) Uani d . 1 . . C
    H26 0.5313 -0.1291 0.3731 0.072 Uiso calc R 1 . . H
    C27 0.7248(2) -0.02608(17) 0.48141(15) 0.0600(5) Uani d . 1 . . C
    H27 0.7319 -0.0702 0.5331 0.072 Uiso calc R 1 . . H
    C28 0.8336(2) 0.0749(2) 0.50090(16) 0.0636(5) Uani d . 1 . . C
    H28 0.9139 0.0999 0.5664 0.076 Uiso calc R 1 . . H
    C29 0.82407(17) 0.13964(18) 0.42345(14) 0.0539(4) Uani d . 1 . . C
    H29 0.8979 0.2080 0.4370 0.065 Uiso calc R 1 . . H
    C30 0.95371(17) 0.24881(17) 0.10533(13) 0.0496(4) Uani d . 1 . . C
    H30A 0.9338 0.1622 0.1135 0.059 Uiso calc R 1 . . H
    H30B 1.0089 0.3207 0.1843 0.059 Uiso calc R 1 . . H
    C31 1.0407(2) 0.2226(2) 0.01485(16) 0.0609(4) Uani d . 1 . . C
    H31A 1.0682 0.3111 0.0121 0.073 Uiso calc R 1 . . H
    H31B 1.1263 0.1890 0.0421 0.073 Uiso calc R 1 . . H
    C32 0.9574(2) 0.11469(19) -0.11122(17) 0.0684(5) Uani d . 1 . . C
    H32A 1.0137 0.1027 -0.1672 0.082 Uiso calc R 1 . . H
    H32B 0.9363 0.0239 -0.1100 0.082 Uiso calc R 1 . . H
    C33 0.8221(2) 0.16203(19) -0.15383(14) 0.0628(5) Uani d . 1 . . C
    H33A 0.7677 0.0891 -0.2327 0.075 Uiso calc R 1 . . H
    H33B 0.8439 0.2473 -0.1634 0.075 Uiso calc R 1 . . H
    C34 0.73293(18) 0.19168(16) -0.06490(12) 0.0518(4) Uani d . 1 . . C
    H34A 0.6992 0.1031 -0.0650 0.062 Uiso calc R 1 . . H
    H34B 0.6509 0.2298 -0.0925 0.062 Uiso calc R 1 . . H
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s.
planes)
 are estimated using the full covariance matrix.  The cell esds are
taken
 into account individually in the estimation of esds in distances,
angles
 and torsion angles; correlations between esds in cell parameters are
only
 used when they are defined by crystal symmetry.  An approximate
(isotropic)
 treatment of cell esds is used for estimating esds involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    N1 C5 . 1.449(2) y
    N1 C2 . 1.451(2) y
    N1 C6 . 1.456(2) y
    C2 C17 . 1.517(2) y
    C2 C3 . 1.574(2) y
    C2 C7 . 1.586(2) y
    C3 N19 . 1.462(2) y
    C3 C22 . 1.531(2) y
    C3 C4 . 1.595(2) y
    C4 C30 . 1.517(2) y
    C4 C34 . 1.539(2) y
    C4 C5 . 1.544(2) y
    C5 H5A . 0.9700 ?
    C5 H5B . 0.9700 ?
    C6 H6A . 0.9600 ?
    C6 H6B . 0.9600 ?
    C6 H6C . 0.9600 ?
    C7 O18 . 1.206(2) y
    C7 C8 . 1.478(2) ?
    C8 C9 . 1.375(2) ?
    C8 C13 . 1.405(2) ?
    C9 C10 . 1.406(2) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.367(2) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.418(2) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.401(2) ?
    C12 C14 . 1.410(2) ?
    C13 C17 . 1.410(2) ?
    C14 C15 . 1.367(2) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.414(2) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.365(2) ?
    C16 H16 . 0.9300 ?
    N19 C20 . 1.265(2) y
    C20 O21 . 1.386(2) y
    C20 C24 . 1.467(2) ?
    O21 C22 . 1.389(2) y
    C22 O23 . 1.185(2) y
    C24 C29 . 1.378(2) ?
    C24 C25 . 1.384(2) ?
    C25 C26 . 1.377(2) ?
    C25 H25 . 0.9300 ?
    C26 C27 . 1.372(3) ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.374(3) ?
    C27 H27 . 0.9300 ?
    C28 C29 . 1.383(2) ?
    C28 H28 . 0.9300 ?
    C29 H29 . 0.9300 ?
    C30 C31 . 1.530(2) ?
    C30 H30A . 0.9700 ?
    C30 H30B . 0.9700 ?
    C31 C32 . 1.513(3) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C32 C33 . 1.499(3) ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
    C33 C34 . 1.528(2) ?
    C33 H33A . 0.9700 ?
    C33 H33B . 0.9700 ?
    C34 H34A . 0.9700 ?
    C34 H34B . 0.9700 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C5 N1 C2 . . 107.50(10)
                          y
    C5 N1 C6 . . 114.60(10)
                          y
    C2 N1 C6 . . 115.10(10)
                          y
    N1 C2 C17 . . 113.23(11) ?
    N1 C2 C3 . . 102.29(9) ?
    C17 C2 C3 . . 116.68(10) ?
    N1 C2 C7 . . 115.83(10) ?
    C17 C2 C7 . . 101.69(10) ?
    C3 C2 C7 . . 107.59(10) ?
    N19 C3 C22 . . 103.22(10) ?
    N19 C3 C2 . . 110.03(9) ?
    C22 C3 C2 . . 111.09(11) ?
    N19 C3 C4 . . 113.81(11) ?
    C22 C3 C4 . . 114.31(10) ?
    C2 C3 C4 . . 104.53(9) ?
    C30 C4 C34 . . 110.00(12) ?
    C30 C4 C5 . . 111.37(12) ?
    C34 C4 C5 . . 110.14(11) ?
    C30 C4 C3 . . 110.49(10) ?
    C34 C4 C3 . . 111.75(11) ?
    C5 C4 C3 . . 102.94(10) ?
    N1 C5 C4 . . 105.85(11) ?
    N1 C5 H5A . . 110.6 ?
    C4 C5 H5A . . 110.6 ?
    N1 C5 H5B . . 110.6 ?
    C4 C5 H5B . . 110.6 ?
    H5A C5 H5B . . 108.7 ?
    N1 C6 H6A . . 109.5 ?
    N1 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    N1 C6 H6C . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    O18 C7 C8 . . 127.45(12) ?
    O18 C7 C2 . . 124.73(11) ?
    C8 C7 C2 . . 107.60(11) ?
    C9 C8 C13 . . 120.17(12) ?
    C9 C8 C7 . . 132.49(13) ?
    C13 C8 C7 . . 107.18(11) ?
    C8 C9 C10 . . 117.59(14) ?
    C8 C9 H9 . . 121.2 ?
    C10 C9 H9 . . 121.2 ?
    C11 C10 C9 . . 122.55(13) ?
    C11 C10 H10 . . 118.7 ?
    C9 C10 H10 . . 118.7 ?
    C10 C11 C12 . . 121.11(14) ?
    C10 C11 H11 . . 119.4 ?
    C12 C11 H11 . . 119.4 ?
    C13 C12 C14 . . 116.35(13) ?
    C13 C12 C11 . . 115.64(14) ?
    C14 C12 C11 . . 128.00(14) ?
    C12 C13 C8 . . 122.85(12) ?
    C12 C13 C17 . . 123.62(13) ?
    C8 C13 C17 . . 113.43(12) ?
    C15 C14 C12 . . 120.03(14) ?
    C15 C14 H14 . . 120.0 ?
    C12 C14 H14 . . 120.0 ?
    C14 C15 C16 . . 122.77(15) ?
    C14 C15 H15 . . 118.6 ?
    C16 C15 H15 . . 118.6 ?
    C17 C16 C15 . . 118.65(14) ?
    C17 C16 H16 . . 120.7 ?
    C15 C16 H16 . . 120.7 ?
    C16 C17 C13 . . 118.50(13) ?
    C16 C17 C2 . . 132.20(12) ?
    C13 C17 C2 . . 109.21(11) ?
    C20 N19 C3 . . 107.67(10) ?
    N19 C20 O21 . . 116.83(11) ?
    N19 C20 C24 . . 127.35(12) ?
    O21 C20 C24 . . 115.80(11) ?
    C20 O21 C22 . . 105.88(10) ?
    O23 C22 O21 . . 120.58(12) ?
    O23 C22 C3 . . 133.02(13) ?
    O21 C22 C3 . . 106.39(11) ?
    C29 C24 C25 . . 119.40(13) ?
    C29 C24 C20 . . 119.72(12) ?
    C25 C24 C20 . . 120.81(13) ?
    C26 C25 C24 . . 120.25(15) ?
    C26 C25 H25 . . 119.9 ?
    C24 C25 H25 . . 119.9 ?
    C27 C26 C25 . . 120.20(14) ?
    C27 C26 H26 . . 119.9 ?
    C25 C26 H26 . . 119.9 ?
    C28 C27 C26 . . 119.91(14) ?
    C28 C27 H27 . . 120.0 ?
    C26 C27 H27 . . 120.0 ?
    C27 C28 C29 . . 120.25(17) ?
    C27 C28 H28 . . 119.9 ?
    C29 C28 H28 . . 119.9 ?
    C24 C29 C28 . . 119.99(14) ?
    C24 C29 H29 . . 120.0 ?
    C28 C29 H29 . . 120.0 ?
    C4 C30 C31 . . 112.23(12) ?
    C4 C30 H30A . . 109.2 ?
    C31 C30 H30A . . 109.2 ?
    C4 C30 H30B . . 109.2 ?
    C31 C30 H30B . . 109.2 ?
    H30A C30 H30B . . 107.9 ?
    C32 C31 C30 . . 111.32(15) ?
    C32 C31 H31A . . 109.4 ?
    C30 C31 H31A . . 109.4 ?
    C32 C31 H31B . . 109.4 ?
    C30 C31 H31B . . 109.4 ?
    H31A C31 H31B . . 108.0 ?
    C33 C32 C31 . . 110.42(14) ?
    C33 C32 H32A . . 109.6 ?
    C31 C32 H32A . . 109.6 ?
    C33 C32 H32B . . 109.6 ?
    C31 C32 H32B . . 109.6 ?
    H32A C32 H32B . . 108.1 ?
    C32 C33 C34 . . 111.97(14) ?
    C32 C33 H33A . . 109.2 ?
    C34 C33 H33A . . 109.2 ?
    C32 C33 H33B . . 109.2 ?
    C34 C33 H33B . . 109.2 ?
    H33A C33 H33B . . 107.9 ?
    C33 C34 C4 . . 112.98(14) ?
    C33 C34 H34A . . 109.0 ?
    C4 C34 H34A . . 109.0 ?
    C33 C34 H34B . . 109.0 ?
    C4 C34 H34B . . 109.0 ?
    H34A C34 H34B . . 107.8 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C5 N1 C2 C17 . . . . -167.95(10) ?
    C6 N1 C2 C17 . . . . 62.99(16) ?
    C5 N1 C2 C3 . . . . -41.54(13) ?
    C6 N1 C2 C3 . . . . -170.60(12) ?
    C5 N1 C2 C7 . . . . 75.13(13) ?
    C6 N1 C2 C7 . . . . -53.92(17) ?
    N1 C2 C3 N19 . . . . 149.62(10) ?
    C17 C2 C3 N19 . . . . -86.24(13) ?
    C7 C2 C3 N19 . . . . 27.16(13) ?
    N1 C2 C3 C22 . . . . -96.71(12) ?
    C17 C2 C3 C22 . . . . 27.43(14) ?
    C7 C2 C3 C22 . . . . 140.83(10) ?
    N1 C2 C3 C4 . . . . 27.05(12) ?
    C17 C2 C3 C4 . . . . 151.19(11) ?
    C7 C2 C3 C4 . . . . -95.41(11) ?
    N19 C3 C4 C30 . . . . -5.74(15) ?
    C22 C3 C4 C30 . . . . -124.00(13) ?
    C2 C3 C4 C30 . . . . 114.33(12) ?
    N19 C3 C4 C34 . . . . 117.09(12) ?
    C22 C3 C4 C34 . . . . -1.17(16) ?
    C2 C3 C4 C34 . . . . -122.84(12) ?
    N19 C3 C4 C5 . . . . -124.75(11) ?
    C22 C3 C4 C5 . . . . 116.99(12) ?
    C2 C3 C4 C5 . . . . -4.68(13) ?
    C2 N1 C5 C4 . . . . 39.64(14) ?
    C6 N1 C5 C4 . . . . 169.02(11) ?
    C30 C4 C5 N1 . . . . -138.02(12) ?
    C34 C4 C5 N1 . . . . 99.66(13) ?
    C3 C4 C5 N1 . . . . -19.62(14) ?
    N1 C2 C7 O18 . . . . -42.36(18) ?
    C17 C2 C7 O18 . . . . -165.56(13) ?
    C3 C2 C7 O18 . . . . 71.31(15) ?
    N1 C2 C7 C8 . . . . 132.59(11) ?
    C17 C2 C7 C8 . . . . 9.39(12) ?
    C3 C2 C7 C8 . . . . -113.74(11) ?
    O18 C7 C8 C9 . . . . -8.7(2) ?
    C2 C7 C8 C9 . . . . 176.54(13) ?
    O18 C7 C8 C13 . . . . 166.69(14) ?
    C2 C7 C8 C13 . . . . -8.08(13) ?
    C13 C8 C9 C10 . . . . -0.66(19) ?
    C7 C8 C9 C10 . . . . 174.24(13) ?
    C8 C9 C10 C11 . . . . -1.3(2) ?
    C9 C10 C11 C12 . . . . 1.1(2) ?
    C10 C11 C12 C13 . . . . 1.0(2) ?
    C10 C11 C12 C14 . . . . -177.93(14) ?
    C14 C12 C13 C8 . . . . 176.03(12) ?
    C11 C12 C13 C8 . . . . -3.07(18) ?
    C14 C12 C13 C17 . . . . -0.08(18) ?
    C11 C12 C13 C17 . . . . -179.18(12) ?
    C9 C8 C13 C12 . . . . 2.96(19) ?
    C7 C8 C13 C12 . . . . -173.11(11) ?
    C9 C8 C13 C17 . . . . 179.43(12) ?
    C7 C8 C13 C17 . . . . 3.36(14) ?
    C13 C12 C14 C15 . . . . -1.9(2) ?
    C11 C12 C14 C15 . . . . 177.08(14) ?
    C12 C14 C15 C16 . . . . 1.4(2) ?
    C14 C15 C16 C17 . . . . 1.2(2) ?
    C15 C16 C17 C13 . . . . -3.1(2) ?
    C15 C16 C17 C2 . . . . -179.10(13) ?
    C12 C13 C17 C16 . . . . 2.60(19) ?
    C8 C13 C17 C16 . . . . -173.84(12) ?
    C12 C13 C17 C2 . . . . 179.50(11) ?
    C8 C13 C17 C2 . . . . 3.06(14) ?
    N1 C2 C17 C16 . . . . 43.86(19) ?
    C3 C2 C17 C16 . . . . -74.49(18) ?
    C7 C2 C17 C16 . . . . 168.81(14) ?
    N1 C2 C17 C13 . . . . -132.46(11) ?
    C3 C2 C17 C13 . . . . 109.19(12) ?
    C7 C2 C17 C13 . . . . -7.51(12) ?
    C22 C3 N19 C20 . . . . 0.06(13) ?
    C2 C3 N19 C20 . . . . 118.69(11) ?
    C4 C3 N19 C20 . . . . -124.39(11) ?
    C3 N19 C20 O21 . . . . 0.57(15) ?
    C3 N19 C20 C24 . . . . -177.71(12) ?
    N19 C20 O21 C22 . . . . -0.99(15) ?
    C24 C20 O21 C22 . . . . 177.48(11) ?
    C20 O21 C22 O23 . . . . -178.47(13) ?
    C20 O21 C22 C3 . . . . 0.92(13) ?
    N19 C3 C22 O23 . . . . 178.65(15) ?
    C2 C3 C22 O23 . . . . 60.77(19) ?
    C4 C3 C22 O23 . . . . -57.2(2) ?
    N19 C3 C22 O21 . . . . -0.63(13) ?
    C2 C3 C22 O21 . . . . -118.51(11) ?
    C4 C3 C22 O21 . . . . 123.50(11) ?
    N19 C20 C24 C29 . . . . 4.5(2) y
    O21 C20 C24 C29 . . . . -173.83(13) ?
    N19 C20 C24 C25 . . . . -178.51(13) ?
    O21 C20 C24 C25 . . . . 3.19(18) ?
    C29 C24 C25 C26 . . . . -0.3(2) ?
    C20 C24 C25 C26 . . . . -177.37(14) ?
    C24 C25 C26 C27 . . . . -0.4(3) ?
    C25 C26 C27 C28 . . . . 1.0(3) ?
    C26 C27 C28 C29 . . . . -0.7(3) ?
    C25 C24 C29 C28 . . . . 0.6(2) ?
    C20 C24 C29 C28 . . . . 177.64(15) ?
    C27 C28 C29 C24 . . . . -0.1(3) ?
    C34 C4 C30 C31 . . . . 52.89(17) ?
    C5 C4 C30 C31 . . . . -69.51(16) ?
    C3 C4 C30 C31 . . . . 176.74(12) ?
    C4 C30 C31 C32 . . . . -56.90(19) ?
    C30 C31 C32 C33 . . . . 57.19(19) ?
    C31 C32 C33 C34 . . . . -55.66(19) ?
    C32 C33 C34 C4 . . . . 53.73(19) ?
    C30 C4 C34 C33 . . . . -51.43(17) ?
    C5 C4 C34 C33 . . . . 71.69(17) ?
    C3 C4 C34 C33 . . . . -174.54(12) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    C5 H5A O18 . 0.97 2.54 3.067(2) 114
    C16 H16 O23 . 0.93 2.57 3.029(2) 111
    C25 H25 O21 . 0.93 2.45 2.781(2) 101
    C34 H34B O23 . 0.97 2.49 2.944(2) 109
data_global
_journal_date_recd_electronic     2004-10-18
_journal_date_accepted     2004-10-27
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2004
_journal_volume     60
_journal_issue     12
_journal_page_first     o2216
_journal_page_last     o2218
_journal_paper_category     EO
_publ_contact_author_name     'Prof. D. Velmurugan'
_publ_contact_author_address
;   Department of Crystallography and Biophysics
    University of Madras
    Guindy Campus
    Madras 600 025
    India
;
_publ_contact_author_email     d_velu@yahoo.com
_publ_contact_author_fax     '044 091 2235 2494'
_publ_contact_author_phone     '044 091 2235 1367'
_publ_section_title
;
1'-Methyl-2''-phenylcyclohexane-1-spiro-4'-[acenapthene-1-spiro-2'-
pyrrolidine-3'-spiro-4''-[1,3]oxazole]-2,5''-dione
;
loop_
    _publ_author_name
    _publ_author_address
    'S. Selvanayagam'
;
Department of Crystallography and Biophysics
University of Madras
Guindy Campus
Chennai 600 025
India
;
    'D. Velmurugan'
;
Department of Crystallography and Biophysics
University of Madras
Guindy Campus
Chennai 600 025
India
;
    'K. Ravikumar'
;
Laboratory of X-ray Crystallography
Indian Institute of Chemical Technology
Hyderabad 500 007
India
;
    'J. Jayashankaran'
;
Department of Organic Chemistry
University of Madras
Guindy Campus
Chennai 600 025
India
;
    'R. Rathna Durga'
;
Department of Organic Chemistry
University of Madras
Guindy Campus
Chennai 600 025
India
;
    'R. Raghunathan'
;
Department of Organic Chemistry
University of Madras
Guindy campus
Chennai 600 025
India
;
