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Acta Cryst. (2013). E69, o1129  [ doi:10.1107/S1600536813013238 ]

7-Bromo-3,3-dibutyl-8-methoxy-2,3-dihydro-1,5-benzothiazepin-4(5H)-one

C. V. Deepu, M. Manjula, K. J. Pampa, D. G. Bhadregowda and N. K. Lokanath


Key indicators

checkCIF/PLATON results

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Alert level A PLAT900_ALERT_1_A No Matching Reflection File Found .............. ! Check
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.7 Ratio
Alert level C PLAT165_ALERT_3_C Nr. of Status R Flagged Non-Hydrogen Atoms ..... 1 PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.1 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for C22 -- C23 .. 5.4 su PLAT234_ALERT_4_C Large Hirshfeld Difference C18 -- C19 .. 0.16 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C18 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C18 - C19 ... 1.42 Ang.
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.13 PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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