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[Contents scheme]

Acta Cryst. (2012). E68, o2615-o2616
[ doi:10.1107/S1600536812033284 ]

4-Methyl-3-phenyl-2,4-dihydropyrazolo[4,3-c][1,2]benzothiazine 5,5-dioxide

S. Aslam, H. L. Siddiqui, M. Ahmad, M. Zia-ur-Rehman and M. Parvez


Key indicators

checkCIF/PLATON results

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Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.530 From the CIF: _refine_ls_abs_structure_Flack_su 0.110 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0044 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 9 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 88 Perc.
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 27.47 From the CIF: _reflns_number_total 3037 Count of symmetry unique reflns 1743 Completeness (_total/calc) 174.24% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1294 Fraction of Friedel pairs measured 0.742 Are heavy atom types Z>Si present yes PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... 0.530 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 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 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 5 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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