[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3095-o3096
[ doi:10.1107/S1600536812041244 ]

(±)-(4bS,8aR,10aS)-10a-Ethynyl-4b,8,8-trimethyl-3,7-dioxo-3,4b,7,8,8a,9,10,10a-octahydrophenanthrene-2,6-dicarbonitrile

S. Zheng, D. Resch, T. Honda and J. P. Jasinski


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A DIFF019_ALERT_1_A _diffrn_standards_number is missing Number of standards used in measurement.
Author Response: not applicable
DIFF020_ALERT_1_A  _diffrn_standards_interval_count and
            _diffrn_standards_interval_time are missing. Number of measurements
            between standards or time (min) between standards.
Author Response: not applicable
DIFF022_ALERT_1_A  _diffrn_standards_decay_% is missing
            Percentage decrease in standards intensity.
Author Response: not applicable

Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C8A -- C16A .. 5.9 su PLAT410_ALERT_2_C Short Intra H...H Contact H4B .. H7B .. 1.99 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A .. N2B .. 2.66 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H4B .. N2A .. 2.69 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.359 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.71 mm PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2A - C15A ... 1.45 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8A - C16A ... 1.45 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C2B - C15B ... 1.44 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C8B - C16B ... 1.45 Ang. PLAT793_ALERT_4_G The Model has Chirality at C6A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C6B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11B (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C14A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C14B (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 4
3 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 14 ALERT level G = General information/check it is not something unexpected 4 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 3 ALERT type 3 Indicator that the structure quality may be low 10 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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