Crystallography Open Database

Information card for entry 7714982

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Coordinates	7714982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H8 F2 O3
Calculated formula	C15 H8 F2 O3
SMILES	Fc1c(C2Oc3c(cccc3)C(=O)C=2O)c(F)ccc1
Title of publication	Cu(II) flavonoids as potential photochemotherapeutic agents.
Authors of publication	Das, Namisha; Bora, Bidisha; Upadhyay, Aarti; Das, Dhananjay; Bera, Arpan; Goswami, Tridib K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	7
Pages of publication	3316 - 3329
a	10.7113 ± 0.0018 Å
b	15.507 ± 0.002 Å
c	7.1679 ± 0.001 Å
α	90°
β	91°
γ	90°
Cell volume	1190.4 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.1771
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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