[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1570
[ doi:10.1107/S1600536813024963 ]

Methyl 8-bromo-3-[1-(4-methoxyphenyl)-4-oxo-3-phenylazetidin-2-yl]-1-methyl-1,2,3,3a,4,9b-hexahydrochromeno[4,3-b]pyrrole-3a-carboxylate

P. Sharmila, G. Jagadeesan, R. Raju, R. Raghavachary and S. Aravindhan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.6 Ratio
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.02 PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 5.5 Ratio PLAT230_ALERT_2_C Hirshfeld Test Diff for N2 -- C3 .. 5.3 su PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 89 %
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT791_ALERT_4_G Note: The Model has Chirality at C1 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C2 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C16 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) R PLAT791_ALERT_4_G Note: The Model has Chirality at C19 (Verify) R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3 PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 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 2 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 3 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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