(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1416-o1417 [ doi:10.1107/S1600536803018786 ]

Ethyl 4'-(4-methoxyphenyl)-1',7''-dimethyl-2,3''-dioxo-5''-phenyl-2,3,2'',3'',4'',5''-tetrahydro-1H-indole-3-spiro-2'-pyrrolidine-3'-spiro-2''-(thiazolo[3,2-a]pyrimidine)-6''-carboxylate

X.-F. Li, Y.-Q. Feng, D.-X. Shi and H.-L. Chen

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.053
wR factor = 0.137
Data-to-parameter ratio = 15.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms .....         12       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.03 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.07 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O5     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         C9     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C11     
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....       C12'     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C7'     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      14.00 Perc. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C4     -   C5       =       1.35 Ang.  
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H31    ..  H33E     =       1.81 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          3       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  13 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
   8 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