(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2010). E66, o2967 [ doi:10.1107/S1600536810042856 ]

rac-2-Hydroxy-2-(2-oxocyclopentyl)-1H-indene-1,3(2H)-dione

J. K. Sundar, S. Maharani, R. R. Kumar, S. Natarajan, J. Suresh and P. L. N. Lakshman

Online 30 October 2010

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.038
wR factor = 0.104
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT793_ALERT_4_G The Model has Chirality at C5      (Verify) ....          R      
PLAT793_ALERT_4_G The Model has Chirality at C6      (Verify) ....          S      

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

   2 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
   2 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: 1st and 2nd authors are students involved in the synthesis,preparation of the sample and basic crystallography, 3rd author is the supervisor of 2nd author and 4th and 5th authors are supervisor and co-supervisors of 1st author involved in the x-ray and other spectroscopic characterization. 6th author is involved in final crystallography and writeup (also involved in the biological study).


   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