[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o739
[ doi:10.1107/S1600536813010040 ]

(1S,3R,8R,9S,11R)-10,10-Dibromo-2,2-dichloro-3,7,7,11-tetramethyltetracyclo[6.5.0.01,3.09,11]tridecane

A. Oukhrib, A. Benharref, M. Saadi, M. Berraho and L. El Ammari


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C23 -- C24 .. 5.2 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C24 PLAT412_ALERT_2_C Short Intra XH3 .. XHn H26 .. H33C .. 1.85 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.252 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT033_ALERT_4_G Flack x Value Deviates .gt. 2*sigma from Zero .. 0.029 PLAT343_ALERT_2_G Check sp3 Angle Range in Main Residue for .. C10 PLAT434_ALERT_2_G Short Inter HL..HL Contact Br3 .. Cl1 . 3.43 Ang. PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C3 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C11 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C25 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C26 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C28 (Verify) R PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 11 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster