[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o776
[ doi:10.1107/S1600536813010489 ]

Methyl 9-(4-methoxyphenyl)-19-methyl-3,12-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(19),13(18),14,16-tetraene-10-carboxylate

S. Selvanayagam, B. Sridhar, S. Kathiravan and R. Raghunathan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.67 PLAT230_ALERT_2_C Hirshfeld Test Diff for O3A -- C22A .. 5.7 su PLAT230_ALERT_2_C Hirshfeld Test Diff for O3B -- C22B .. 6.3 su PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0053 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 29.709 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.066 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.376
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT793_ALERT_4_G The Model has Chirality at C9A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C9B (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C14A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C14B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C15A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C15B (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C16A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C16B (Verify) .... R PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 68 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 0 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 5 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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