(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, o1921-o1923 [ doi:10.1107/S1600536807011804 ]

2-Dipropylamino-6-methyl-5-(4-methylphenyl)-3,8-diphenyl-5,8-dihydropyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-4(3H)-one

Q.-Y. Ren and H.-W. He

Online 28 March 2007

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.005 Å
R factor = 0.056
wR factor = 0.164
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000)         200 Deg. 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     -   C6      ..       5.28 su   
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C33    -   C34     ..       6.34 su   
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C1     -C6            1.37 Ang. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5      
PLAT413_ALERT_2_C Short Inter XH3 .. XHn     H28    ..  H34B    ..       2.14 Ang. 
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........        O2A     
                    H25    O2A                                                 
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........        O2A     
                    C25    O2A                                                 
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........        O2A     
                    C25    H25    O2A                                          

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

   6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   4 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
   0 ALERT type 5 Informative message, check