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Acta Cryst. (2011). E67, o439  [ doi:10.1107/S1600536811001681 ]

Deltaline from Delphinium delavayi Franch

X.-Q. Wang, Q. Song, X.-Q. Guo and J. Yan

Online 22 January 2011


Key indicators

checkCIF/PLATON results

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Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.42 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uso(min) ... 5.43 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for O8 -- C26 .. 6.26 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O8 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 8 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
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 26.37 From the CIF: _reflns_number_total 3005 Count of symmetry unique reflns 3012 Completeness (_total/calc) 99.77% 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 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_4_G Note: The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C6 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C10 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C11 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C13 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C14 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C16 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C17 (Verify) S PLAT981_ALERT_1_G No non-zero f" Anomalous Scattering Values Found ?
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 17 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 14 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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