[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3074
[ doi:10.1107/S1600536812041220 ]

N,N-Dibenzyl-O,O'-dimethyl thiophosphate

A. Raissi Shabari, F. Sabbaghi, M. Pourayoubi, M. Necas and M. Babiak


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 64 Perc.
Alert level G REFLT03_ALERT_4_G WARNING: Large fraction of Friedel related reflns may be needed to determine absolute structure From the CIF: _diffrn_reflns_theta_max 27.70 From the CIF: _reflns_number_total 3010 Count of symmetry unique reflns 2159 Completeness (_total/calc) 139.42% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 851 Fraction of Friedel pairs measured 0.394 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.75 mm PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 125
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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