(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2093-o2095 [ doi:10.1107/S1600536805017976 ]

2-Dicyanomethylene-4,5,5-trimethyl-2,5-dihydrofuran-3-carbonitrile

S.-Y. Li, Y.-Y. Song, Z.-L. You, Y.-W. Wen and J.-G. Qin

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.004 Å
R factor = 0.065
wR factor = 0.213
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.148
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.15       
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C8     ...       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C5     -   C6     ...       1.43 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C5     -   C7     ...       1.42 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          1       

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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion