Crystallography Open Database

Information card for entry 1551690

Preview

Coordinates	1551690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 N O3
Calculated formula	C20 H15 N O3
SMILES	O(Cc1c2cc(ccc2oc(=O)c1)C)c1c2ncccc2ccc1
Title of publication	Crystal Structure of 6-Methyl-4-[(quinolin-8-yloxy)methyl]-2H-chromen-2-one
Authors of publication	REVANKAR, Hrishikesh; KULKARNI, Manohar V; KUMAR, G N Anil
Journal of publication	X-ray Structure Analysis Online
Year of publication	2013
Journal volume	29
Journal issue	0
Pages of publication	5
a	7.4641 ± 0.0002 Å
b	12.1483 ± 0.0003 Å
c	17.1084 ± 0.0004 Å
α	90°
β	99.667 ± 0.001°
γ	90°
Cell volume	1529.3 ± 0.07 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	0.0479
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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