##############################################################################
###                                                                        ###
###        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                                                              #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
1,3,5-Tris(bromomethyl)-2,4,6-tris(2-methoxycarbonyl-2-methylpropyl)benzene
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H39 Br3 O6'
_chemical_formula_sum     'C27 H39 Br3 O6'
_chemical_formula_iupac     'C27 H39 Br3 O6'
_chemical_formula_weight     699.31
_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     9.8160(9)
_cell_length_b     10.9110(9)
_cell_length_c     14.4422(13)
_cell_angle_alpha     83.279(2)
_cell_angle_beta     70.934(2)
_cell_angle_gamma     89.364(2)
_cell_volume     1451.3(2)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     5471
_cell_measurement_theta_min     2.26
_cell_measurement_theta_max     28.14
_cell_measurement_temperature     213.0(10)
_exptl_crystal_description     parallelepiped
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.40
_exptl_crystal_size_mid     0.38
_exptl_crystal_size_min     0.275
_exptl_crystal_density_diffrn     1.600
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     708
_exptl_absorpt_coefficient_mu     4.207
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2004)'
_exptl_absorpt_correction_T_min     0.2121
_exptl_absorpt_correction_T_max     0.3133
_exptl_special_details
;
Crystal decay was monitored by repeating the initial 50 frames
at the end of the data collection and analyzing duplicate
reflections.
;
_diffrn_ambient_temperature     213.0(10)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker SMART1000/P4'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     10173
_diffrn_reflns_av_R_equivalents     0.0140
_diffrn_reflns_av_sigmaI/netI     0.0224
_diffrn_reflns_theta_min     1.50
_diffrn_reflns_theta_max     27.49
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.950
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -12
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -14
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_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     6311
_reflns_number_gt     5523
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0321
_refine_ls_R_factor_gt     0.0262
_refine_ls_wR_factor_gt     0.0670
_refine_ls_wR_factor_ref     0.0688
_refine_ls_goodness_of_fit_ref     1.038
_refine_ls_restrained_S_all     1.038
_refine_ls_number_reflns     6311
_refine_ls_number_parameters     334
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
       'calc w = 1/[σ²(Fo²)+(0.0379P)²+0.5054P] 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     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.622
_refine_diff_density_min     -0.344
_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'
    O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1999)'
_computing_cell_refinement     'SAINT (Bruker, 2006)'
_computing_data_reduction     'SAINT (Bruker, 2006)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2000)'
_computing_publication_material     'SHELXTL (Sheldrick, 2000)'
loop_
    _atom_site_type_symbol
    _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
    C C1 -0.11458(19) 0.17480(16) 0.79133(13) 0.0219(4) Uani d . 1 . .
    C C2 -0.01962(19) 0.27822(16) 0.76904(13) 0.0224(4) Uani d . 1 . .
    C C3 0.11470(19) 0.28177(16) 0.69291(13) 0.0219(4) Uani d . 1 . .
    C C4 0.15113(19) 0.18209(16) 0.63661(13) 0.0221(4) Uani d . 1 . .
    C C5 0.05705(19) 0.07814(16) 0.65758(13) 0.0213(4) Uani d . 1 . .
    C C6 -0.07767(19) 0.07690(16) 0.73304(13) 0.0214(3) Uani d . 1 . .
    C C7 -0.2565(2) 0.17176(18) 0.87601(13) 0.0260(4) Uani d . 1 . .
    H H7A -0.3279 0.1230 0.8607 0.031 Uiso calc R 1 . .
    H H7B -0.2912 0.2561 0.8806 0.031 Uiso calc R 1 . .
    C C8 -0.2474(2) 0.1163(2) 0.97943(15) 0.0347(5) Uani d . 1 . .
    C C9 -0.2373(3) -0.0242(2) 0.98707(18) 0.0523(7) Uani d . 1 . .
    H H9A -0.2363 -0.0561 1.0524 0.078 Uiso calc R 1 . .
    H H9B -0.1494 -0.0463 0.9380 0.078 Uiso calc R 1 . .
    H H9C -0.3199 -0.0594 0.9756 0.078 Uiso calc R 1 . .
    C C10 -0.1218(3) 0.1692(3) 1.00545(17) 0.0474(6) Uani d . 1 . .
    H H10A -0.1342 0.2569 1.0100 0.071 Uiso calc R 1 . .
    H H10B -0.0315 0.1566 0.9545 0.071 Uiso calc R 1 . .
    H H10C -0.1204 0.1276 1.0683 0.071 Uiso calc R 1 . .
    C C11 -0.3887(3) 0.1479(3) 1.05471(16) 0.0428(6) Uani d . 1 . .
    O O11 -0.4844(2) 0.0769(2) 1.09979(17) 0.0838(8) Uani d . 1 . .
    O O12 -0.3940(2) 0.2676(2) 1.06339(17) 0.0709(6) Uani d . 1 . .
    C C13 -0.5216(4) 0.3084(4) 1.1352(3) 0.0938(14) Uani d . 1 . .
    H H13A -0.6067 0.2796 1.1231 0.141 Uiso calc R 1 . .
    H H13B -0.5197 0.3979 1.1296 0.141 Uiso calc R 1 . .
    H H13C -0.5241 0.2751 1.2010 0.141 Uiso calc R 1 . .
    C C14 -0.0685(2) 0.39069(18) 0.82093(15) 0.0288(4) Uani d . 1 . .
    H H14A 0.0154 0.4369 0.8228 0.035 Uiso calc R 1 . .
    H H14B -0.1301 0.3655 0.8890 0.035 Uiso calc R 1 . .
    C C15 0.2184(2) 0.39274(16) 0.67068(15) 0.0256(4) Uani d . 1 . .
    H H15A 0.1611 0.4666 0.6844 0.031 Uiso calc R 1 . .
    H H15B 0.2728 0.4024 0.5999 0.031 Uiso calc R 1 . .
    C C16 0.3291(2) 0.38894(18) 0.72834(15) 0.0293(4) Uani d . 1 . .
    C C17 0.3977(3) 0.2633(2) 0.73542(18) 0.0419(5) Uani d . 1 . .
    H H17A 0.4618 0.2654 0.7740 0.063 Uiso calc R 1 . .
    H H17B 0.4520 0.2444 0.6697 0.063 Uiso calc R 1 . .
    H H17C 0.3227 0.2003 0.7670 0.063 Uiso calc R 1 . .
    C C18 0.4480(3) 0.4877(3) 0.6719(2) 0.0494(6) Uani d . 1 . .
    H H18A 0.5162 0.4920 0.7073 0.074 Uiso calc R 1 . .
    H H18B 0.4045 0.5674 0.6667 0.074 Uiso calc R 1 . .
    H H18C 0.4978 0.4658 0.6064 0.074 Uiso calc R 1 . .
    C C19 0.2559(2) 0.42944(18) 0.83050(16) 0.0310(4) Uani d . 1 . .
    O O19 0.2168(2) 0.53239(15) 0.84482(14) 0.0494(4) Uani d . 1 . .
    O O20 0.2371(2) 0.33924(15) 0.90415(12) 0.0485(4) Uani d . 1 . .
    C C21 0.1737(4) 0.3742(3) 1.0022(2) 0.0643(8) Uani d . 1 . .
    H H21A 0.2344 0.4371 1.0125 0.097 Uiso calc R 1 . .
    H H21B 0.1654 0.3025 1.0504 0.097 Uiso calc R 1 . .
    H H21C 0.0787 0.4064 1.0094 0.097 Uiso calc R 1 . .
    C C22 0.2857(2) 0.19154(18) 0.54706(14) 0.0277(4) Uani d . 1 . .
    H H22A 0.3190 0.1087 0.5325 0.033 Uiso calc R 1 . .
    H H22B 0.3625 0.2361 0.5600 0.033 Uiso calc R 1 . .
    C C23 0.1000(2) -0.03083(16) 0.59799(14) 0.0231(4) Uani d . 1 . .
    H H23A 0.1613 0.0003 0.5310 0.028 Uiso calc R 1 . .
    H H23B 0.0127 -0.0679 0.5929 0.028 Uiso calc R 1 . .
    C C24 0.1823(2) -0.13454(17) 0.64124(15) 0.0263(4) Uani d . 1 . .
    C C25 0.0828(3) -0.20735(19) 0.73649(15) 0.0358(5) Uani d . 1 . .
    H H25A 0.0034 -0.2452 0.7230 0.054 Uiso calc R 1 . .
    H H25B 0.0452 -0.1518 0.7861 0.054 Uiso calc R 1 . .
    H H25C 0.1369 -0.2710 0.7605 0.054 Uiso calc R 1 . .
    C C26 0.3150(3) -0.0854(2) 0.6614(2) 0.0426(6) Uani d . 1 . .
    H H26A 0.3591 -0.1530 0.6901 0.064 Uiso calc R 1 . .
    H H26B 0.2855 -0.0238 0.7069 0.064 Uiso calc R 1 . .
    H H26C 0.3842 -0.0483 0.5999 0.064 Uiso calc R 1 . .
    C C27 0.2345(2) -0.22309(17) 0.56309(14) 0.0275(4) Uani d . 1 . .
    O O27 0.35750(17) -0.24632(17) 0.52245(13) 0.0462(4) Uani d . 1 . .
    O O28 0.12400(17) -0.27239(14) 0.54482(12) 0.0417(4) Uani d . 1 . .
    C C29 0.1565(3) -0.3534(2) 0.46845(19) 0.0461(6) Uani d . 1 . .
    H H29A 0.2180 -0.3095 0.4068 0.069 Uiso calc R 1 . .
    H H29B 0.0676 -0.3800 0.4603 0.069 Uiso calc R 1 . .
    H H29C 0.2058 -0.4249 0.4870 0.069 Uiso calc R 1 . .
    C C30 -0.1906(2) -0.02155(17) 0.74423(14) 0.0259(4) Uani d . 1 . .
    H H30A -0.2463 -0.0428 0.8142 0.031 Uiso calc R 1 . .
    H H30B -0.1440 -0.0962 0.7186 0.031 Uiso calc R 1 . .
    Br Br1 -0.17711(3) 0.49697(2) 0.750578(19) 0.04397(7) Uani d . 1 . .
    Br Br2 0.24186(3) 0.28042(2) 0.433048(15) 0.03893(7) Uani d . 1 . .
    Br Br3 -0.31992(2) 0.04030(2) 0.670707(16) 0.03421(6) Uani d . 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    C1 0.0200(9) 0.0256(9) 0.0186(8) 0.0032(7) -0.0046(7) -0.0017(7)
    C2 0.0222(9) 0.0220(8) 0.0224(9) 0.0030(7) -0.0062(7) -0.0042(7)
    C3 0.0202(9) 0.0208(8) 0.0243(9) 0.0008(7) -0.0074(7) -0.0014(7)
    C4 0.0177(8) 0.0245(8) 0.0214(9) 0.0016(7) -0.0035(7) -0.0014(7)
    C5 0.0210(9) 0.0212(8) 0.0214(9) 0.0034(7) -0.0066(7) -0.0024(7)
    C6 0.0198(8) 0.0215(8) 0.0212(9) 0.0006(7) -0.0050(7) -0.0004(7)
    C7 0.0198(9) 0.0337(10) 0.0215(9) 0.0026(7) -0.0021(7) -0.0053(7)
    C8 0.0272(10) 0.0501(13) 0.0227(10) -0.0002(9) -0.0034(8) -0.0024(9)
    C9 0.0676(18) 0.0522(15) 0.0321(12) 0.0066(13) -0.0144(12) 0.0087(11)
    C10 0.0324(12) 0.0808(18) 0.0285(12) 0.0001(12) -0.0111(10) -0.0008(11)
    C11 0.0317(12) 0.0701(16) 0.0226(11) -0.0052(11) -0.0018(9) -0.0104(11)
    O11 0.0522(13) 0.1063(18) 0.0619(14) -0.0280(12) 0.0254(11) -0.0134(13)
    O12 0.0459(11) 0.0826(15) 0.0690(14) 0.0033(10) 0.0124(10) -0.0407(12)
    C13 0.0494(19) 0.138(4) 0.091(3) 0.020(2) 0.0015(18) -0.075(3)
    C14 0.0270(10) 0.0292(9) 0.0309(10) 0.0050(8) -0.0084(8) -0.0099(8)
    C15 0.0250(9) 0.0222(9) 0.0298(10) -0.0014(7) -0.0094(8) -0.0020(7)
    C16 0.0244(10) 0.0302(10) 0.0346(11) 0.0010(8) -0.0112(8) -0.0044(8)
    C17 0.0408(13) 0.0473(13) 0.0459(13) 0.0209(10) -0.0223(11) -0.0171(11)
    C18 0.0322(12) 0.0621(16) 0.0539(15) -0.0173(11) -0.0151(11) -0.0018(12)
    C19 0.0296(10) 0.0308(10) 0.0389(12) 0.0023(8) -0.0181(9) -0.0085(8)
    O19 0.0637(12) 0.0342(8) 0.0575(11) 0.0153(8) -0.0264(9) -0.0167(8)
    O20 0.0722(12) 0.0383(9) 0.0334(9) 0.0112(8) -0.0142(8) -0.0083(7)
    C21 0.088(2) 0.0687(19) 0.0360(14) 0.0148(16) -0.0168(15) -0.0146(13)
    C22 0.0238(9) 0.0285(9) 0.0258(10) 0.0005(7) -0.0017(8) -0.0028(8)
    C23 0.0241(9) 0.0222(8) 0.0224(9) 0.0035(7) -0.0065(7) -0.0038(7)
    C24 0.0279(10) 0.0230(9) 0.0301(10) 0.0056(7) -0.0110(8) -0.0070(7)
    C25 0.0486(13) 0.0298(10) 0.0280(11) 0.0116(9) -0.0120(10) -0.0023(8)
    C26 0.0429(13) 0.0336(11) 0.0656(16) 0.0105(10) -0.0352(12) -0.0133(11)
    C27 0.0290(10) 0.0230(9) 0.0284(10) 0.0053(7) -0.0070(8) -0.0017(7)
    O27 0.0282(8) 0.0646(11) 0.0470(10) 0.0181(8) -0.0093(7) -0.0223(8)
    O28 0.0315(8) 0.0427(9) 0.0515(10) -0.0007(6) -0.0065(7) -0.0289(8)
    C29 0.0538(15) 0.0357(12) 0.0518(15) 0.0041(10) -0.0145(12) -0.0251(11)
    C30 0.0233(9) 0.0239(9) 0.0284(10) -0.0012(7) -0.0063(8) -0.0009(7)
    Br1 0.05016(15) 0.03338(12) 0.05592(15) 0.01883(10) -0.02485(12)
                                                                    -0.01511(10)
    Br2 0.04493(14) 0.03935(12) 0.02538(11) -0.00344(9) -0.00353(9) 0.00146(8)
    Br3 0.02797(11) 0.04168(12) 0.03524(12) 0.00208(8) -0.01226(9) -0.00812(9)
_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
    C1 C6 . 1.408(2) ?
    C1 C2 . 1.410(3) ?
    C1 C7 . 1.522(2) ?
    C2 C3 . 1.412(3) ?
    C2 C14 . 1.505(2) ?
    C3 C4 . 1.407(2) ?
    C3 C15 . 1.526(2) ?
    C4 C5 . 1.411(2) ?
    C4 C22 . 1.511(2) ?
    C5 C6 . 1.411(2) ?
    C5 C23 . 1.524(2) ?
    C6 C30 . 1.509(2) ?
    C7 C8 . 1.575(3) ?
    C7 H7A . 0.9800 ?
    C7 H7B . 0.9800 ?
    C8 C11 . 1.522(3) ?
    C8 C9 . 1.529(3) ?
    C8 C10 . 1.538(3) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C9 H9C . 0.9700 ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C10 H10C . 0.9700 ?
    C11 O11 . 1.186(3) ?
    C11 O12 . 1.326(3) ?
    O12 C13 . 1.446(3) ?
    C13 H13A . 0.9700 ?
    C13 H13B . 0.9700 ?
    C13 H13C . 0.9700 ?
    C14 Br1 . 1.979(2) ?
    C14 H14A . 0.9800 ?
    C14 H14B . 0.9800 ?
    C15 C16 . 1.568(3) ?
    C15 H15A . 0.9800 ?
    C15 H15B . 0.9800 ?
    C16 C17 . 1.528(3) ?
    C16 C19 . 1.530(3) ?
    C16 C18 . 1.545(3) ?
    C17 H17A . 0.9700 ?
    C17 H17B . 0.9700 ?
    C17 H17C . 0.9700 ?
    C18 H18A . 0.9700 ?
    C18 H18B . 0.9700 ?
    C18 H18C . 0.9700 ?
    C19 O19 . 1.202(2) ?
    C19 O20 . 1.329(3) ?
    O20 C21 . 1.443(3) ?
    C21 H21A . 0.9700 ?
    C21 H21B . 0.9700 ?
    C21 H21C . 0.9700 ?
    C22 Br2 . 1.979(2) ?
    C22 H22A . 0.9800 ?
    C22 H22B . 0.9800 ?
    C23 C24 . 1.571(2) ?
    C23 H23A . 0.9800 ?
    C23 H23B . 0.9800 ?
    C24 C27 . 1.529(3) ?
    C24 C25 . 1.537(3) ?
    C24 C26 . 1.539(3) ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
    C25 H25C . 0.9700 ?
    C26 H26A . 0.9700 ?
    C26 H26B . 0.9700 ?
    C26 H26C . 0.9700 ?
    C27 O27 . 1.196(2) ?
    C27 O28 . 1.330(2) ?
    O28 C29 . 1.446(2) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C29 H29C . 0.9700 ?
    C30 Br3 . 1.9719(19) ?
    C30 H30A . 0.9800 ?
    C30 H30B . 0.9800 ?
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
    C6 C1 C2 . . 119.19(16) ?
    C6 C1 C7 . . 121.01(16) ?
    C2 C1 C7 . . 119.78(16) ?
    C1 C2 C3 . . 120.94(16) ?
    C1 C2 C14 . . 119.17(16) ?
    C3 C2 C14 . . 119.64(16) ?
    C4 C3 C2 . . 119.07(16) ?
    C4 C3 C15 . . 120.24(16) ?
    C2 C3 C15 . . 120.68(16) ?
    C3 C4 C5 . . 120.70(16) ?
    C3 C4 C22 . . 119.56(16) ?
    C5 C4 C22 . . 119.50(16) ?
    C4 C5 C6 . . 119.43(16) ?
    C4 C5 C23 . . 120.09(16) ?
    C6 C5 C23 . . 120.47(16) ?
    C1 C6 C5 . . 120.50(16) ?
    C1 C6 C30 . . 118.93(16) ?
    C5 C6 C30 . . 120.17(16) ?
    C1 C7 C8 . . 114.53(16) ?
    C1 C7 H7A . . 108.6 ?
    C8 C7 H7A . . 108.6 ?
    C1 C7 H7B . . 108.6 ?
    C8 C7 H7B . . 108.6 ?
    H7A C7 H7B . . 107.6 ?
    C11 C8 C9 . . 108.2(2) ?
    C11 C8 C10 . . 108.71(19) ?
    C9 C8 C10 . . 108.5(2) ?
    C11 C8 C7 . . 105.47(17) ?
    C9 C8 C7 . . 111.31(18) ?
    C10 C8 C7 . . 114.43(18) ?
    C8 C9 H9A . . 109.5 ?
    C8 C9 H9B . . 109.5 ?
    H9A C9 H9B . . 109.5 ?
    C8 C9 H9C . . 109.5 ?
    H9A C9 H9C . . 109.5 ?
    H9B C9 H9C . . 109.5 ?
    C8 C10 H10A . . 109.5 ?
    C8 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    C8 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    O11 C11 O12 . . 123.0(2) ?
    O11 C11 C8 . . 125.7(3) ?
    O12 C11 C8 . . 111.3(2) ?
    C11 O12 C13 . . 116.5(3) ?
    O12 C13 H13A . . 109.5 ?
    O12 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    O12 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    C2 C14 Br1 . . 109.75(13) ?
    C2 C14 H14A . . 109.7 ?
    Br1 C14 H14A . . 109.7 ?
    C2 C14 H14B . . 109.7 ?
    Br1 C14 H14B . . 109.7 ?
    H14A C14 H14B . . 108.2 ?
    C3 C15 C16 . . 116.98(15) ?
    C3 C15 H15A . . 108.1 ?
    C16 C15 H15A . . 108.1 ?
    C3 C15 H15B . . 108.1 ?
    C16 C15 H15B . . 108.1 ?
    H15A C15 H15B . . 107.3 ?
    C17 C16 C19 . . 111.47(18) ?
    C17 C16 C18 . . 109.34(19) ?
    C19 C16 C18 . . 106.46(18) ?
    C17 C16 C15 . . 113.15(17) ?
    C19 C16 C15 . . 109.45(16) ?
    C18 C16 C15 . . 106.64(17) ?
    C16 C17 H17A . . 109.5 ?
    C16 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C16 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    C16 C18 H18A . . 109.5 ?
    C16 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    C16 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    O19 C19 O20 . . 121.9(2) ?
    O19 C19 C16 . . 124.3(2) ?
    O20 C19 C16 . . 113.80(17) ?
    C19 O20 C21 . . 115.81(19) ?
    O20 C21 H21A . . 109.5 ?
    O20 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    O20 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    C4 C22 Br2 . . 109.10(13) ?
    C4 C22 H22A . . 109.9 ?
    Br2 C22 H22A . . 109.9 ?
    C4 C22 H22B . . 109.9 ?
    Br2 C22 H22B . . 109.9 ?
    H22A C22 H22B . . 108.3 ?
    C5 C23 C24 . . 115.18(15) ?
    C5 C23 H23A . . 108.5 ?
    C24 C23 H23A . . 108.5 ?
    C5 C23 H23B . . 108.5 ?
    C24 C23 H23B . . 108.5 ?
    H23A C23 H23B . . 107.5 ?
    C27 C24 C25 . . 108.36(16) ?
    C27 C24 C26 . . 107.98(17) ?
    C25 C24 C26 . . 108.85(18) ?
    C27 C24 C23 . . 106.26(15) ?
    C25 C24 C23 . . 111.83(16) ?
    C26 C24 C23 . . 113.36(16) ?
    C24 C25 H25A . . 109.5 ?
    C24 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    C24 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    C24 C26 H26A . . 109.5 ?
    C24 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    C24 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    O27 C27 O28 . . 123.31(19) ?
    O27 C27 C24 . . 125.74(19) ?
    O28 C27 C24 . . 110.95(16) ?
    C27 O28 C29 . . 117.52(17) ?
    O28 C29 H29A . . 109.5 ?
    O28 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    O28 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 109.5 ?
    C6 C30 Br3 . . 109.25(12) ?
    C6 C30 H30A . . 109.8 ?
    Br3 C30 H30A . . 109.8 ?
    C6 C30 H30B . . 109.8 ?
    Br3 C30 H30B . . 109.8 ?
    H30A C30 H30B . . 108.3 ?
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
    C23 H23A Br3 2_556 0.98 2.90 3.7875(19) 151
data_global
_journal_date_recd_electronic     2007-11-13
_journal_date_accepted     2007-11-16
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue     12
_journal_page_first     o4905
_journal_page_last     o4905
_journal_paper_category     QO
_journal_coeditor_code     BG2134
_publ_contact_author_name     'Andreas Decken'
_publ_contact_author_address
;
Department of Chemistry
University of New Brunswick
Fredericton
New Brunswick
Canada
E3B 6E2
;
_publ_contact_author_email     adecken@unb.ca
_publ_contact_author_fax     '(506) 453-4981'
_publ_contact_author_phone     '(506) 453-4875'
_publ_section_title
;
1,3,5-Tris(bromomethyl)-2,4,6-tris(2-methoxycarbonyl-2-methylpropyl)benzene
;
loop_
    _publ_author_name
    _publ_author_address
    'Pierre Baillargeon'
;
Institut de Pharmacologie
Département de Chimie
Universite de Sherbrooke
3001, 12e Avenue nord
Sherbrooke
Québec
Canada J1H 5N4
;
    'Yves Dory'
;
Institut de Pharmacologie
Département de Chimie
Universite de Sherbrooke
3001, 12e Avenue nord
Sherbrooke
Québec
Canada J1H 5N4
;
    'Andreas Decken'
;
Department of Chemistry
University of New Brunswick
Fredericton
New Brunswick
Canada E3B 6E2
;
