(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1425-o1426 [ doi:10.1107/S1600536803018774 ]

Methyl N-(benzyloxycarbonyl)oxamate

R. Marx, S. J. Glaser and M. Bolte

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.002 Å
R factor = 0.042
wR factor = 0.098
Data-to-parameter ratio = 19.3

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.93       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           30.55
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               3064
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         3309
           Completeness (_total/calc)             92.60%
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C5     -   C6       =       1.54 Ang.  

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