(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o1049-o1051 [ doi:10.1107/S1600536805008147 ]

4-p-Tolyl-1,3,4,4a,5,6,7,8a-octahydro-2H-pyrano[2,3-d]pyrimidin-2-one

L. Yan, Y.-L. Zhu and Y.-J. Pan

Online 25 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.002 Å
R factor = 0.037
wR factor = 0.112
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C14     
PLAT707_ALERT_1_C D...A   Calc  3.1150(17), Rep  3.1177(16), Dev..       1.59 Sigma 
              N1   -O       1.555   2.755                                       
PLAT728_ALERT_1_C D-H..A  Calc      177.61, Rep      176.00 Dev...       1.61 Deg.  
              N1   -H1   -O       1.555   1.555   2.755                         

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

   2 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion