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Acta Cryst. (2013). E69, o1015  [ doi:10.1107/S1600536813014402 ]

1-[(6-Chloropyridin-3-yl)methyl]-10-nitro-1,2,3,5,6,7,8,9-octahydro-5,9-methanoimidazo[1,2-a]azocin-5-ol

S.-X. Cui, G.-Y. Zhang and Z.-Z. Tian


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0057 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 20.992 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.484 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.145 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.599 3 PLAT934_ALERT_3_C Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.10 PLAT793_ALERT_4_G The Model has Chirality at C5 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) .... R PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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