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Acta Cryst. (2005). E61, o2424-o2425  [ doi:10.1107/S1600536805015977 ]

Cyclohexanone at 150 K

H. A. Shallard-Brown, D. J. Watkin and A. R. Cowley

Online 9 July 2005


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.740 0.980 Tmin' and Tmax expected: 0.948 0.978 RR' = 0.779 Please check that your absorption correction is appropriate. CRYSR01_ALERT_1_C _exptl_crystal_size_rad not in the CIF when expected. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.78 PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.70 mm PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given ....... ?
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 27.37 From the CIF: _reflns_number_total 775 Count of symmetry unique reflns 788 Completeness (_total/calc) 98.35% 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 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 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 2 ALERT type 4 Improvement, methodology, query or suggestion

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