(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o5361-o5362 [ doi:10.1107/S1600536806044369 ]

10,11-Dihydrocarbamazepine-acetic acid (1/1)

A. Johnston, A. J. Florence, P. Fernandes, N. Shankland and A. R. Kennedy

Online 3 November 2006

Key indicators

Single-crystal X-ray study
T = 123 K
Mean (C-C) = 0.005 Å
R factor = 0.076
wR factor = 0.147
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............      24.96 Deg. 

Alert level C
RINTA01_ALERT_3_C  The value of Rint is greater than 0.10
            Rint given   0.103
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 .........       0.10      
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5      
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O2     -   H1     ...       1.03 Ang. 

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 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