(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, o251 [ doi:10.1107/S1600536808044231 ]

Redetermination of 1,4-dimethoxybenzene

R. Iuliucci, C. L. Hoop, A. M. Arif, J. K. Harper, R. J. Pugmire and D. M. Grant

Online 8 January 2009

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (C-C) = 0.001 Å
R factor = 0.037
wR factor = 0.101
Data-to-parameter ratio = 12.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.20 Ratio

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 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
   0 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL024_ALERT_1_A The number of authors is greater than 5.
              Please specify the role of each of the co-authors
              for your paper.

Author Response: All six authors listed are scientists who worked on this project. Prof. Iuliucci, the principal investigator, performed this work in the groups of Prof. Grant and Pugmire at the University of Utah. Both Grant and Pugmire provided the overall guidence and funding for this study. Dr. Arif and Harper are staff scientists in the chemistry department at Utah and assisted technically with the study. Cody Hoop was a summer research student and did all of the grunt work.


   1 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing