(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o550-o552 [ doi:10.1107/S1600536804005045 ]

5,7-Dibromo-1'-methyl-2'-(4-methoxybenzoyl)-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-3''-1H-indole-2,2''(3H,3''H)-dione methanol solvate

P. R. Seshadri, S. Selvanayagam, D. Velmurugan, K. Ravikumar, A. R. Sureshbabu and R. Raghunathan

Online 20 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.048
wR factor = 0.141
Data-to-parameter ratio = 18.1

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           28.01
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               6201
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         6692
           Completeness (_total/calc)             92.66%
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.95       
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....          1       
PLAT432_ALERT_2_C Short Inter X...Y Contact  Br1    ..  C8      ..       3.33 Ang.  
PLAT757_ALERT_4_C D...A   Calc     2.80169, Rep    2.802(4) ......  Senseless su    
              N1   -O36     1.555   1.555                                       
PLAT757_ALERT_4_C D...A   Calc     3.05257, Rep    3.053(3) ......  Senseless su    
              O36  -O17     1.555   4.565                                       
PLAT757_ALERT_4_C D...A   Calc     3.18300, Rep    3.183(4) ......  Senseless su    
              O36  -N14     1.555   4.565                                       

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   4 ALERT type 4 Improvement, methodology, query or suggestion