(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o922-o923 [ doi:10.1107/S1600536804010025 ]

1,4-Dimethyl-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one

D. V. Albov, V. B. Rybakov, E. V. Babaev and L. A. Aslanov

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.045
wR factor = 0.103
Data-to-parameter ratio = 15.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       

Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
           From the CIF: _diffrn_reflns_theta_max           74.89
           From the CIF: _reflns_number_total               1740
           From the CIF: _diffrn_reflns_limit_ max hkl   10.    8.   16.
           From the CIF: _diffrn_reflns_limit_ min hkl  -12.    0.    0.
           TEST1: Expected hkl limits for theta max
           Calculated maximum hkl   12.    8.   19.
           Calculated minimum hkl  -12.   -8.  -19.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   1 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
   0 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