[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o2606-o2607
[ doi:10.1107/S1600536812032990 ]

5-Amino-3-ethoxy-1,8,8-trimethyl-2-azabicyclo[2.2.2]octa-2,5-diene-4,6-dicarbonitrile

S. Chantrapromma, T. Suwunwong, P. Ruanwas, N. Boonnak and H.-K. Fun


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C2A -- C12A .. 6.3 su PLAT230_ALERT_2_C Hirshfeld Test Diff for C4A -- C13A .. 5.6 su PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 6.421
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00100 Deg. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C4A - C13A ... 1.42 Ang. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C4B - C13B ... 1.42 Ang. PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 20 PLAT793_ALERT_4_G The Model has Chirality at C2A (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C2B (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C5A (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C5B (Verify) .... S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 6 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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