Crystallography Open Database

Information card for entry 7714981

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Coordinates	7714981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 O3
Calculated formula	C15 H10 O3
SMILES	c12ccccc1C(=O)C(=C(c1ccccc1)O2)O
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	5.4597 ± 0.0005 Å
b	11.4059 ± 0.0012 Å
c	18.188 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1132.62 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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