(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1568-o1570 [ doi:10.1107/S1600536804020082 ]

The sydnone compound 4-hydroxy-4-benzylsydno[3,4-a]indole

G. B. Riddle, D. A. Grossie and K. Turnbull

Online 21 August 2004

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.002 Å
R factor = 0.045
wR factor = 0.146
Data-to-parameter ratio = 15.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      24.75 Deg.

Author Response: The data set is lacking 31 expected reflections below a resolution of 0.6, this is out of a data set of 6005(4887 observed). The data set includes reflections out to a 2theta value of 28.23 degrees.


Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5A    -   C5A     ..       6.96 su    

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

   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
   0 ALERT type 4 Improvement, methodology, query or suggestion