(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o2658 [ doi:10.1107/S1600536810037840 ]

Ethyl 3-oxo-3H-benzo[f]chromene-2-carboxylate

M. V. Vahini, H. C. Devarajegowda, K. M. Mahadevan, T. G. Meenakshi and H. K. Arunkashi

Online 30 September 2010

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.075
wR factor = 0.208
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT930_ALERT_2_B Check Twin Law ( 1 0  0)[ 1 0  0] Estimated BASF       0.03      
PLAT930_ALERT_2_B Check Twin Law ( 1 0  0)[ 1 0  0] Estimated BASF       0.03      

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         44 Perc.
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C7     --  C8      ..       5.13 su   
PLAT340_ALERT_3_C Low Bond Precision on  C-C Bonds (x 1000) Ang ..          7      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C16 H12 O4                                                       

Alert level G
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT931_ALERT_5_G Check Twin Law ( 1 0  0)[       ] Estimated BASF       0.03      
PLAT931_ALERT_5_G Check Twin Law (       )[ 1 0  0] Estimated BASF       0.03      

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

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check