(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, o103-o104
[ doi:10.1107/S1600536812050532 ]

(E)-5-[3-Cyano-2-(dicyanomethylene)-1-oxaspiro[4.5]dec-3-en-4-yl]-3-(1-methyl-1,4-dihydropyridin-4-ylidene)pent-4-en-1-yl 3,5-bis(benzyloxy)benzoate

G. J. Gainsford, D. J. Clarke and A. J. Kay

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R factor = 0.048
wR factor = 0.144
Data-to-parameter ratio = 14.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT410_ALERT_2_C Short Intra H...H Contact  H15    ..  H18     ..       1.95 Ang. 
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .         57 A   3 
PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ...     -0.816      
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         21      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C1     -   C2     ...       1.41 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C2     -   C3     ...       1.41 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C7     -   C13    ...       1.42 Ang. 

   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
   5 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check