[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o316
[ doi:10.1107/S1600536813002560 ]

(1S,3aS,4S,7aS)-Ethyl 1-benzyl-2-(4-methoxybenzyl)-6,7-dimethyl-3-oxo-2,3,3a,4,5,7a-hexahydro-1H-isoindole-4-carboxylate dichloromethane monosolvate

B. Lin and J.-L. Wu


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 49 Perc. PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 2
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for C27 -- C28 .. 5.7 su PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C29 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0066 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H6 .. O3 .. 2.65 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 2
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? 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 C9 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C17 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C18 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C20 (Verify) S
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 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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