(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1713 [ doi:10.1107/S160053681102294X ]

7-Diethylamino-2-oxo-2H-chromene-3-carbaldehyde

H.-D. Li and B.-Z. Yin

Online 18 June 2011

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.003 Å
Disorder in main residue
R factor = 0.048
wR factor = 0.144
Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O1     --  C1      ..        6.5 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C2     --  C10     ..        7.0 su   
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          2      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         20      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         20      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          4      
PLAT242_ALERT_2_G Check Low       Ueq as Compared to Neighbors for       C11B     
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................         11 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          1      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   5 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   4 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check