(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1330-o1331 [ doi:10.1107/S1600536804016599 ]

3-(4-Chlorophenyl)-4-(O,O'-diethylphosphono)-2-phenylisoxazolidine

Y. Ye, L.-Z. Liu and Y.-F. Zhao

Online 17 July 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.070
wR factor = 0.211
Data-to-parameter ratio = 13.1

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.18 Ratio 

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.768     0.949
            Tmin' and Tmax expected:      0.937     0.949
            RR' =      0.820
            Please check that your absorption correction is appropriate.
PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low ....         44 Perc. 
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.82       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.41 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C14     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         P1     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....         C7     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      13.00 Perc. 
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8       
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      38.00 A   3  
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      43.10 Deg.  
              C16' -O3   -C16     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      43.30 Deg.  
              C18' -O4   -C18     1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  13 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
   7 ALERT type 2 Indicator that the structure model may be wrong or deficient
   6 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion