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Acta Cryst. (2005). E61, o2410-o2412  [ doi:10.1107/S1600536805020842 ]


T. Ravishankar, K. Chinnakali, N. Arumugam, P. C. Srinivasan, A. Usman and H.-K. Fun

Online 6 July 2005

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checkCIF/PLATON results

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Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for C20A - C21A .. 7.76 su
Alert level C PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT230_ALERT_2_C Hirshfeld Test Diff for C20B - C21B .. 6.87 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C11B PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C13B PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9B PLAT331_ALERT_2_C Small Average Phenyl C-C Dist. C9B -C14B 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT480_ALERT_4_C Long H...A H-Bond Reported H24D .. CG1 .. 2.90 Ang.
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 28.29 From the CIF: _reflns_number_total 8896 Count of symmetry unique reflns 5223 Completeness (_total/calc) 170.32% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 3673 Fraction of Friedel pairs measured 0.703 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 10 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 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion

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