[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o768  [ doi:10.1107/S1600536813010180 ]

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

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


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT411_ALERT_2_B Short Inter H...H Contact H24 .. H92' .. 1.99 Ang.
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O3 -- C91 .. 6.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C9 -- C91' .. 6.0 su PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1 ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H1 .. O1 .. 2.84 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported N1 .. O1 .. 3.65 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 16 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 10 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C92' PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 23 Perc. PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 220 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 49 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster