[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o325
[ doi:10.1107/S1600536813002973 ]

(±)-(4aR,5R,8S,8aR)-8-(tert-Butyldimethylsilyloxy)-2,5,8a-trimethyl-4a,5,8,8a-tetrahydronaphthalene-1,4-dione

F. N. Delling, J. Zukerman-Schpector, T. J. Brocksom, U. Brocksom, F. G. Finelli and E. R. T. Tiekink


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 34 Perc.
Author Response: The crystal was the best available and low temp. facilities were not available. Despite the low ratio, the structure has been determined unambiguously.

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C1 -- C10 .. 7.0 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Si1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C16 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0056 Ang PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -62.151 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.223 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -4.702 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.014 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -1.416 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.555 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 ? 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 C5 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C6 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C10 (Verify) .... S
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 11 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 9 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: The contribution of the authors to this submission is as follows: Delling - responsible for preliminary cryst. anal. Zukerman-Schpector - co-responsible for final crystallography and write-up Brocksom, T. - co-supervisor of students Brocksom, U. - co-supervisor of student Finelli - responsible for the synthesis and crystallization Tiekink - co-responsible for write-up

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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