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Acta Cryst. (2011). E67, o267  [ doi:10.1107/S1600536810053869 ]


S. Thenmozhi, E. Govindan, D. Gavaskar, R. Raghunathan and A. SubbiahPandi

Online 8 January 2011

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for S2 -- C32 .. 8.69 su PLAT230_ALERT_2_B Hirshfeld Test Diff for C29 -- C30' .. 7.12 su PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C29 -- C30 .. 5.36 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C29 PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond C31 - C32 ... 1.30 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.592 2 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT234_ALERT_4_C Large Hirshfeld Difference C32 -- C30' .. 0.17 Ang.
Alert level G PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 5.00 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 5 PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT793_ALERT_4_G The Model has Chirality at C12 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C13 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C14 (Verify) .... R
0 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 8 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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