(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o873-o875 [ doi:10.1107/S1600536804009006 ]

1'-(4-Methoxybenzoyl)acenaphthene-1-spiro-3'-pyrrolizidine-2'-spiro-3''-1H-indole-2,2''(1H,3''H)-dione

M. M. Govind, S. Selvanayagam, D. Velmurugan, K. Ravikumar, A. R. Sureshbabu and R. Raghunathan

Online 30 April 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.085
wR factor = 0.196
Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91       

Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.59 Ratio 

Alert level C
WEIGH01_ALERT_1_C  Extra text has been found in the
            _refine_ls_weighting_scheme field. This should be in the
            _refine_ls_weighting_details field.
            Weighting scheme given as calc w = 1/[\s^2^(Fo^2^)+(0.0752P)^2^+0.2551
            Weighting scheme identified as calc
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.67       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.70 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C18    -   C19     ..       5.64 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C33     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5       
PLAT420_ALERT_2_C D-H Without Acceptor       N7     -   H7     ...          ?       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C33 H26 N2 O4                                                     

   1 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion