(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4977-o4978 [ doi:10.1107/S1600536806041948 ]

(8-Bromonaphthalen-1-yl)methyl 8-bromo-1-naphthoate

I. Novak, W. Li and L. J. Harrison

Online 13 October 2006

Key indicators

Single-crystal X-ray study
T = 223 K
Mean (C-C) = 0.015 Å
R factor = 0.071
wR factor = 0.236
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.408     0.839
            Tmin and Tmax expected:      0.351     0.834
            RR =      1.155
            Please check that your absorption correction is appropriate.
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         48 Perc.
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.16      
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C14     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C12     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C16     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         15      

Alert level G

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check