[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o621-o622
[ doi:10.1107/S1600536813008222 ]

4-(Decyloxy)phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate

B. S. Palakshamurthy, H. C. Devarajegowda, H. T. Srinivasa, S. Sreenivasa and Vijithkumar


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A DIFF019_ALERT_1_A _diffrn_standards_number is missing Number of standards used in measurement. DIFF020_ALERT_1_A _diffrn_standards_interval_count and _diffrn_standards_interval_time are missing. Number of measurements between standards or time (min) between standards. DIFF022_ALERT_1_A _diffrn_standards_decay_% is missing Percentage decrease in standards intensity.
Alert level B PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C26
Alert level C PLAT148_ALERT_3_C su on the a - Axis is (Too) Large ........ 0.030 Ang. PLAT148_ALERT_3_C su on the b - Axis is (Too) Large ........ 0.0100 Ang. PLAT148_ALERT_3_C su on the c - Axis is (Too) Large ........ 0.011 Ang. PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.9 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.1 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O5 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C15 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C25 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0067 Ang PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C25 - C26 ... 1.43 Ang. PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C26 - C27 ... 1.43 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported C16 .. CG2 .. 4.12 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported C3 .. CG1 .. 4.32 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 50.603 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.990 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.278 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.055 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 53
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 9 Perc. PLAT343_ALERT_2_G Check sp3 Angle Range in Main Residue for .. C26 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 21 F2A -C1 -F2 1.555 1.555 1.555 44.90 Deg. PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
3 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 21 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 12 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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