(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1285-o1287 [ doi:10.1107/S1600536804015521 ]

Tedisamil sesquifumarate

P. G. Jones, U. Schön and E. Finner

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.003 Å
R factor = 0.059
wR factor = 0.166
Data-to-parameter ratio = 16.1

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.136
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.14       
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio 
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B    ..  O1      ..       2.64 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H10B   ..  O1      ..       2.63 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H5     ..  O2      ..       2.69 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H12B   ..  O5      ..       2.63 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         11       

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

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