(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1709-o1711 [ doi:10.1107/S1600536804021610 ]

Methyl 3-dimethylamino-2-{2-[2-(dimethylamino)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)vinyloxy]phenyl}acrylate

H.-B. Wang, J.-H. Chen and J.-T. Wang

Online 11 September 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.007 Å
R factor = 0.073
wR factor = 0.259
Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found




Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.259
PLAT084_ALERT_2_C High R2 Value ..................................       0.26       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    N3     -   C21     ..       5.50 su    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors  for         N3     
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       
PLAT380_ALERT_4_C Incorrectly Oriented X(sp2)-Methyl Moiety ......        C21     

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   2 ALERT type 4 Improvement, methodology, query or suggestion