Acta Cryst. (2005). E61, o990-o991  [ doi:10.1107/S1600536805007361 ]

3-[(2R*,3S*)-3-(2-Methoxyanilino)-2-methyl-3-phenylpropionyl]spiro[2H-1,3-benzoxazine-2,1'-cyclohexan]-4(3H)-one

S.-Z. Jian, J.-M. Gu and Y.-G. Wang

Online 18 March 2005

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.003 Å
• R factor = 0.031
• wR factor = 0.063
• Data-to-parameter ratio = 8.0

checkCIF/PLATON results

No syntax errors found




Alert level B
REFNR01_ALERT_3_B  Ratio of reflections to parameters is < 8 for a
            centrosymmetric structure
            sine(theta)/lambda                0.6493
            Proportion of unique data used    0.4573
            Ratio reflections to parameters   7.9877
PLAT088_ALERT_3_B Poor Data / Parameter Ratio ....................       7.99       
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C5      ..       7.19 su    

Alert level C
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         46 Perc. 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C5     -   C10     ..       5.34 su    
PLAT410_ALERT_2_C Short Intra H...H Contact  H19    ..  H20     ..       1.98 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H24    ..  O2      ..       2.69 Ang.  

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

Copyright © International Union of Crystallography
IUCr Webmaster