[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3459
[ doi:10.1107/S1600536812047940 ]

Diphenyl (isopropylamido)phosphate

F. Sabbaghi, M. Pourayoubi, M. Necas and M. Babiak


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT021_ALERT_1_B Ratio Unique / Expected Reflections too High ... 4.838
Alert level C PLAT074_ALERT_1_C Occupancy Parameter = 0.0 for .................. C13B PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 25.00 From the CIF: _reflns_number_total 6226 Count of symmetry unique reflns 1287 Completeness (_total/calc) 483.76% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 4939 Fraction of Friedel pairs measured 3.838 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group Pc ....... Pn PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 10 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 28 PLAT870_ALERT_4_G ALERTS Related to Twinning Effects Suppressed .. ! PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 85 Perc. PLAT931_ALERT_5_G Check Twin Law ( 1 0 1)[ ] Estimated BASF 0.38 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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