[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1759
[ doi:10.1107/S1600536813030389 ]

N,N'-Dimethyl-N''-(trichloroacet­yl)phospho­ramide

V. Ovchynnikov


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.962 PLAT213_ALERT_2_C Atom Cl2A has ADP max/min Ratio ..... 3.3 prolat PLAT234_ALERT_4_C Large Hirshfeld Difference Cl2 -- C2 .. 0.16 Ang. PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... P1 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N2 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C2 Check PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0060 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.715 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 76 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 Check PLAT975_ALERT_2_C Positive Residual Density at 1.07A from O1 . 0.41 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 13 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 23 Note PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 33 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 56 % PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 2 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 8 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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