Crystallography Open Database

Information card for entry 8106482

Preview

Coordinates	8106482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 O4
Calculated formula	C19 H18 O4
SMILES	O=C1c2ccc(OC)cc2CCC\1=C/c1ccc(O)c(OC)c1
Title of publication	Crystal structure of (E)-2-(4-hydroxy-3-methoxybenzylidene)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one, C19H18O4
Authors of publication	El-Sayed, Nahed N.E.; Almaneai, Norah M.; Ghabbour, Hazem A.; Alafeefy, Ahmed M.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	2
Pages of publication	203 - 205
a	21.1472 ± 0.0008 Å
b	9.7978 ± 0.0004 Å
c	14.5181 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3008.1 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280377 (current)	2023-01-17	cif/ Adding structures of 8106482 via cif-deposit CGI script.	8106482.cif