[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Supplementary Material][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1355-o1356  [ doi:10.1107/S1600536813020679 ]

4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate

H. C. Devarajegowda, B. S. Palakshamurthy, H. N. Harishkumar, P. A. Suchetan and S. Sreenivasa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C1
Alert level C RFACG01_ALERT_3_C The value of the R factor is > 0.10 R factor given 0.104 RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.316 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.32 PLAT213_ALERT_2_C Atom F2A has ADP max/min Ratio ..... 3.7 prola PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C12 -C17 1.37 Ang. PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0057 Ang. PLAT482_ALERT_4_C Small D-H..A Angle Rep for C24 .. O5 .. 99.60 Deg. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.442 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.19 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 7 % PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... ! Check
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 9 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 4 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 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster