(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o54-o56 [ doi:10.1107/S1600536803027284 ]

1-(2-Chlorophenyl)-1H-indan-2-spiro-2'-pyrrolizidine-3'-spiro-3''-1H-indole-1,3,2''(2H,3''H)-trione

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

Online 12 December 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.058
wR factor = 0.178
Data-to-parameter ratio = 17.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.00       
PLAT038_ALERT_1_A _diffrn_measured_fraction_theta_max  Not Given .          ?
PLAT039_ALERT_1_A _diffrn_measured_fraction_theta_full Not Given .          ?

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.73 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C27    -   C28      =       5.52 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C12     
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........        C1G     
                    H20    C1G                                                  
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        C1G     
                    C20    C1G                                                  
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........        C1G     
                    C20    H20    C1G                                           

   3 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

   5 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion