[Open access]

[Contents scheme]

Acta Cryst. (2014). E70, o548
[ doi:10.1107/S1600536814007776 ]

Diethyl [(4-nitrobenzamido)(phen­yl)meth­yl]phospho­nate

J.-W. Chen, B.-C. Li, H. Fang, Z. Wu and M.-J. Fang


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.14 Why ? PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) Range 3.4 Ratio PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... N2 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C5 Check PLAT242_ALERT_2_C Low Ueq as Compared to Neighbors for ..... C15 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 Note PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C2 -C7 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0058 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 10.739 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.387 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 62 Why ?
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT066_ALERT_1_G Predicted and Reported Tmin&Tmax Range Identical ? Check PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 Why ? 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 = 7 Note PLAT793_ALERT_4_G The Model has Chirality at P1 ............. R Verify PLAT793_ALERT_4_G The Model has Chirality at C8 ............. S Verify PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 1 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 72 % PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? 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 13 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 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 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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