(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o2997-o2998 [ doi:10.1107/S1600536805025444 ]

1-Bromo-3,4-bis(bromomethyl)-2,5-dimethoxybenzene

P. Hammershøj, E. Riis and J. B. Christensen

Online 20 August 2005

Key indicators

Single-crystal X-ray study
T = 122 K
Mean (C-C) = 0.004 Å
R factor = 0.041
wR factor = 0.078
Data-to-parameter ratio = 39.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT147_ALERT_1_C su on Symmetry Constrained Cell Angle(s) .......          ?
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br2A   ..  Br3B    ..       3.44 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         20       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C10 H11 Br3 O2                                                    
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C10 H11 Br3 O2                                                    

Alert level G
ABSTY01_ALERT_1_G  Extra text has been found in the _exptl_absorpt_correction_type
            field, which should be only a single keyword. A literature
            citation should be included in the _exptl_absorpt_process_details
            field.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 ALERT level C = Check and explain
   1 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
   3 ALERT type 4 Improvement, methodology, query or suggestion