(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2011). E67, o1427 [ doi:10.1107/S1600536811017168 ]

2-(2-Methoxyphenyl)-1-benzofuran

M. Pojarová, M. Dusek, A. Jancarík, E. Makrlík and Z. Sedláková

Online 14 May 2011

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.002 Å
R factor = 0.033
wR factor = 0.088
Data-to-parameter ratio = 12.9

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           67.05
           From the CIF: _reflns_number_total               2006
           Count of symmetry unique reflns         1184
           Completeness (_total/calc)            169.43%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       822
           Fraction of Friedel pairs measured     0.694
           Are heavy atom types Z>Si present         no
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          96 Perc.
PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by .       0.15      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   0 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   3 ALERT level G = General information/check it is not something unexpected

   0 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
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check