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Acta Cryst. (2013). E69, o1290  [ doi:10.1107/S1600536813019703 ]

Isotenulin

K. S. Knight, C. T. Smith and T. G. Waddell


Key indicators

checkCIF/PLATON results

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Alert level C PLAT019_ALERT_1_C Check _diffrn_measured_fraction_theta_full/_max 0.983 PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 7.95 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0044 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.358 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.597 16
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C4 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C5 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (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) R PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C21 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C22 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C26 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C30 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C31 (Verify) R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 71 % PLAT952_ALERT_5_G Reported and Calculated Lmax Values Differ by .. 2
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 17 ALERT level G = General information/check it is not something unexpected 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 6 ALERT type 3 Indicator that the structure quality may be low 14 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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