(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2158-o2160 [ doi:10.1107/S1600536805015928 ]

2'-Benzoyl-1'-(4-chlorophenyl)-5',6',7',7a'-tetrahydrospiro[indan-2,3'(2'H)-1H-pyrrolizine]-1,3-dione

S. Kalyanasundaram, S. Selvanayagam, D. Velmurugan, K. Ravikumar, M. Poornachandran and R. Raghunathan

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 273 K
Mean (C-C) = 0.002 Å
R factor = 0.046
wR factor = 0.143
Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.78 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C17A     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3A    ..  C27B    ..       2.96 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         12       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C28 H22 Cl N O3                                                   

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion