[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3282
[ doi:10.1107/S1600536812044856 ]

2,4-Bis(2-ethoxyphenyl)-3-azabicyclo[3.3.1]nonan-9-one

D. H. Park, V. Ramkumar and P. Parthiban


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ? PLAT230_ALERT_2_C Hirshfeld Test Diff for C15 -- C16 .. 6.3 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT414_ALERT_2_C Short Intra D-H..H-X H1A1 .. H10A .. 1.99 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1A - H1A1 ... ? PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -7.040 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.050 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 97 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT975_ALERT_2_C Positive Residual Density at 1.08A from N1A . 0.51 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 1.06A from N1 . 0.44 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 2 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ? PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 7 PLAT793_ALERT_4_G The Model has Chirality at C1 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C1A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C2A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C6A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C7A (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 802
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 15 ALERT level G = General information/check it is not something unexpected 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 10 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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