[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o177
[ doi:10.1107/S1600536812051586 ]

(1E,4E)-1,5-Bis[2-(trifluoromethyl)phenyl]penta-1,4-dien-3-one

D. H. Park, V. Ramkumar and P. Parthiban


Key indicators

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 50 Perc.
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.978 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C7 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C19 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0044 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H17 .. F3 .. 2.62 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H1 .. O1 .. 2.72 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported C3 .. CG1 .. 4.10 Ang. PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.331 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 34
Alert level G PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 175
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 1 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 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 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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