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Acta Cryst. (2008). E64, o881  [ doi:10.1107/S1600536808010659 ]

5,6-Dichloro-2-(3-methoxyphenyl)isoindoline-1,3-dione

O. Büyükgüngör and M. Odabasoglu


Key indicators

checkCIF/PLATON results

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Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact Cl2 .. O1 .. 2.89 Ang.
Alert level C RINTA01_ALERT_3_C The value of Rint is greater than 0.10 Rint given 0.116 STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.430 From the CIF: _refine_ls_abs_structure_Flack_su 0.130 PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.12 PLAT033_ALERT_2_C Flack Parameter Value Deviates from zero ....... 0.43 PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.65 mm PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 6
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 26.00 From the CIF: _reflns_number_total 2687 Count of symmetry unique reflns 1575 Completeness (_total/calc) 170.60% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1112 Fraction of Friedel pairs measured 0.706 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 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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