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Acta Cryst. (2013). E69, o1043  [ doi:10.1107/S1600536813014955 ]

Bruceolline D: 3,3-dimethyl-1H,4H-cyclopenta[b]indol-2(3H)-one

J. M. Lopchuk, G. W. Gribble and J. P. Jasinski


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.687 Test value = 0.600 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ..... 7.98 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.11 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.69 eA-3 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0049 Ang PLAT420_ALERT_2_C D-H Without Acceptor N1A - H1A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1B - H1B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1C - H1C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1D - H1D ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H10B .. O1A .. 2.61 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12D .. O1C .. 2.73 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12J .. O1A .. 2.69 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 78 %
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 4 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group Pca21 . Pbc21 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 8 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 24
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 15 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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