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Acta Cryst. (2010). E66, o288  [ doi:10.1107/S1600536809055494 ]

Methyl 2-methyl-3,5-dinitrobenzoate

A. R. Raza, A. Saddiqa, M. N. Tahir, M. Danish and M. S. Iqbal

Online 9 January 2010


Key indicators

checkCIF/PLATON results

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Alert level B PLAT926_ALERT_1_B Reported and Calculated R1 * 100.0 Differ by . -2.31 PLAT927_ALERT_1_B Reported and Calculated wR2 * 100.0 Differ by . -4.35 PLAT928_ALERT_1_B Reported and Calculated S value Differ by . -0.39
Alert level C PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 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 28.31 From the CIF: _reflns_number_total 1510 Count of symmetry unique reflns 1512 Completeness (_total/calc) 99.87% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 0 Fraction of Friedel pairs measured 0.000 Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 1 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 3 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 0 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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