Crystallography Open Database

Information card for entry 8105329

Preview

Coordinates	8105329.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(2, 3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one
Formula	C17 H14 O5
Calculated formula	C17 H14 O5
SMILES	O=C1C(O)=C(Oc2ccccc12)c1c(OC)c(OC)ccc1
Title of publication	The crystal structure of 2-(2,3-dimethoxyphenyl)-3-hydroxy-4H-chromen-4-one, C17H14O5
Authors of publication	Koh, Dongsoo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	4
Pages of publication	913 - 914
a	11.758 ± 0.0007 Å
b	8.3745 ± 0.0005 Å
c	13.8754 ± 0.0008 Å
α	90°
β	92.622 ± 0.002°
γ	90°
Cell volume	1364.84 ± 0.14 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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 all reflections	0.054
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1073
Weighted residual factors for all reflections included in the refinement	0.1163
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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