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Acta Cryst. (2013). E69, o1197  [ doi:10.1107/S1600536813017698 ]

(2S,3R)-3-(2-Bromophenyl)-2-nitro-2,3,6,7-tetrahydro-1-benzofuran-4(5H)-one

Y. Wang, L. Lou, K. Dong and D. Xu


Key indicators

checkCIF/PLATON results

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Alert level C PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.4 Ratio PLAT234_ALERT_4_C Large Hirshfeld Difference O3 -- N1 .. 0.16 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0097 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H7A .. O3 .. 2.66 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.022 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) R
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 9 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 0 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 4 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

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