(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1868-o1869 [ doi:10.1107/S1600536804023815 ]

Venlafaxine, an antidepressant drug

L. Tessler and I. Goldberg

Online 30 September 2004

Key indicators

Single-crystal X-ray study
T = 110 K
Mean (C-C) = 0.002 Å
R factor = 0.044
wR factor = 0.121
Data-to-parameter ratio = 18.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           27.50
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               3428
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         3609
           Completeness (_total/calc)             94.98%
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          1       

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   3 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
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion