(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2040-o2041 [ doi:10.1107/S1600536805017460 ]

4-(4-tert-Butylphenoxy)-2-chloropyrimidine

W.-M. Liu, Y.-Q. Zhu, Y.-F. Wang, G.-C. Li and H.-Z. Yang

Online 10 June 2005

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R factor = 0.055
wR factor = 0.134
Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for        C11     

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      14.00 Perc. 

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion