[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1705
[ doi:10.1107/S1600536813028535 ]

1-(3,5-Di­fluoro­phen­yl)-4,4,4-tri­fluoro­butane-1,3-dione

K. E. Manoj Kumar, B. S. Palakshamurthy, P. A. Suchetan, S. Madan Kumar, N. K. Lokanath and S. Sreenivasa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.958
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5857 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 Note PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0056 Ang. PLAT362_ALERT_2_C Short C(sp3)-C(sp2) Bond C7 - C8 ... 1.40 Ang. PLAT362_ALERT_2_C Short C(sp3)-C(sp2) Bond C8 - C9 ... 1.39 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.041 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.586 70 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.14 PLAT242_ALERT_2_G Low Ueq as Compared to Neighbors for ..... C10 Check PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 37 %
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 4 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL024_ALERT_1_A The number of authors is greater than 5. Please specify the role of each of the co-authors for your paper.
Author Response: SS and KEM synthesized and characterized the compound. PAS and BSP solved and analyzed the data. NKL and SMK collected the data.

1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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