(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5490-o5491 [ doi:10.1107/S1600536806046356 ]

Methyl (E)-3-(5-cyano-2-furyl)-2-phenylacrylate

D. Mrvos-Sermek, K. Starcevic and G. Karminski-Zamola

Online 10 November 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.058
wR factor = 0.139
Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C1     -   C5     ...       1.42 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  C10     ..       2.91 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  C11     ..       2.93 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  C12     ..       3.03 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  C13     ..       3.09 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  C14     ..       3.06 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  C15     ..       2.97 Ang. 

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   6 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check