[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3098
[ doi:10.1107/S1600536812040895 ]

Methyl 2-(3,5-dinitrobenzamido)-3-methylbutanoate

X. Li and Y. Zhao


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT035_ALERT_1_B No _chemical_absolute_configuration info given . ?
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 27.74 From the CIF: _reflns_number_total 3580 Count of symmetry unique reflns 2119 Completeness (_total/calc) 168.95% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1461 Fraction of Friedel pairs measured 0.689 Are heavy atom types Z>Si present no PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 18
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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