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Acta Cryst. (2007). E63, o1435-o1436  [ doi:10.1107/S160053680700102X ]

3-(4-Bromophenyl)-5-(4-chlorophenyl)-1-phenyl-2-pyrazoline

H.-M. Guo, F.-F. Jian, H.-L. Xiao, X.-Z. Sun and Y.-F. Li

Online 23 February 2007


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Alert level C ABSTM02_ALERT_3_C The ratio of Tmax/Tmin expected RT(exp) is > 1.10 Absorption corrections should be applied. Tmin and Tmax expected: 0.548 0.620 RT(exp) = 1.133 PLAT057_ALERT_3_C Correction for Absorption Required RT(exp) ... 1.14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT850_ALERT_2_C Check Flack Parameter Exact Value 0.00 and su .. 0.01
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 27.03 From the CIF: _reflns_number_total 3899 Count of symmetry unique reflns 2294 Completeness (_total/calc) 169.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1605 Fraction of Friedel pairs measured 0.700 Are heavy atom types Z>Si present yes PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K PLAT791_ALERT_1_G Confirm the Absolute Configuration of C8 = . R
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 3 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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