Crystallography Open Database

Information card for entry 2003595

2003594 << 2003595 >> 2003596

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Coordinates	2003595.cif
Original IUCr paper	HTML

Structure parameters

Formula	C18 H16 O6
Calculated formula	C18 H15 O6
SMILES	o1c(cc(=O)c2c1cc(cc2)O)c1c(OC)c(OC)c(OC)cc1
Title of publication	A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone
Authors of publication	Wallet, J.-C.; Cody, V.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	6
Pages of publication	1193 - 1195
a	24.633 ± 0.005 Å
b	16.44 ± 0.002 Å
c	7.465 ± 0.001 Å
α	90°
β	92.86 ± 0.01°
γ	90°
Cell volume	3019.3 ± 0.8 Å³
Cell temperature	293 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.064
Goodness-of-fit parameter for significantly intense reflections	2.3
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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