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[Contents scheme]

Acta Cryst. (2012). E68, o3403
[ doi:10.1107/S1600536812046715 ]

(E)-3-(3,5-Dimethoxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

H.-J. Lee, Y. Lim and D. Koh


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C STRVA01_ALERT_4_C Flack test results are meaningless. From the CIF: _refine_ls_abs_structure_Flack 0.000 From the CIF: _refine_ls_abs_structure_Flack_su 1.500 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 72 Perc.
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 28.29 From the CIF: _reflns_number_total 3479 Count of symmetry unique reflns 2092 Completeness (_total/calc) 166.30% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1387 Fraction of Friedel pairs measured 0.663 Are heavy atom types Z>Si present no PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High . 1.500 PLAT850_ALERT_4_G Check Flack Parameter Exact Value 0.00 and su .. 1.50 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 3 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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