(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o2025-o2027 [ doi:10.1107/S1600536803026345 ]

1-Methyl-4'-(3-nitrophenyl)-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-indan-2,1'',3''-trione

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

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.052
wR factor = 0.163
Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



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

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           27.98
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               4747
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         5218
           Completeness (_total/calc)             90.97%
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.77 Ratio 
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        N21     
PLAT432_ALERT_2_C Short Inter X...Y Contact  C8     ..  C8       =       3.18 Ang.  
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C19    ..  O23      =      98.00 Deg.  
PLAT482_ALERT_4_C Small D-H..A Angle Rep for C24    ..  O22      =      98.00 Deg.  

   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

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