[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1525
[ doi:10.1107/S1600536813024689 ]

2,4-Bis(4-fluorophenyl)-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-one

S. Rizwana Begum, R. Hema, R. Venkateswaramoorthi, K. Krishnasamy and A. G. Anitha


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5893 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C2 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C28 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C17 -C22 1.37 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ? Check PLAT420_ALERT_2_C D-H Without Acceptor N2 - H2A ... ? Check PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.875 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.589 5
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 2 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C10 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C29 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C33 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C37 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C38 (Verify) .... S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 2 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 9 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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