(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2003). E59, o1265-o1266 [ doi:10.1107/S1600536803016945 ]

4-(3,4-Methylenedioxyphenyl)-7,7-dimethyl-5-oxo-3,4,5,6,7,8-hexahydrocoumarin

H. Wu, D. Shi, J. Chen, X. Wang, Q. Zhuang and H. Hu

Online 8 August 2003

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.002 Å
R factor = 0.038
wR factor = 0.101
Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C3     -   C17    =       5.94 su      
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ..           C3     

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion