[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o763
[ doi:10.1107/S1600536813009422 ]

rac-7-Methyl-3-[(7-methyl-4-oxochroman-3-yl)methyl]-4H-chromen-4-one

M. Somasundaram, A. Rajendiran, K. K. Balasubramanian, K. Krishnasamy and S. Kabilan


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT222_ALERT_3_B Large Non-Solvent H Uiso(max)/Uiso(min) .. 9.1 Ratio
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 Perc. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.966 PLAT230_ALERT_2_C Hirshfeld Test Diff for C19 -- C20 .. 7.0 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C19 PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C19 - C20 ... 1.38 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.929 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 8
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT793_ALERT_4_G The Model has Chirality at C20 (Verify) .... R PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 119
0 ALERT level A = Most likely a serious problem - resolve or explain 1 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 2 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 6 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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