Crystallography Open Database

Information card for entry 8106730

Preview

Coordinates	8106730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2 O4
Calculated formula	C26 H22 N2 O4
SMILES	O(/N=C(\C)c1ccc(/N=C/c2c(O)ccc3c2oc(=O)cc3C)cc1)Cc1ccccc1
Title of publication	Crystal structure of 8-((E)-((4-((E)-1-((benzyloxy)imino)ethyl)phenyl)imino)methyl)-7-hydroxy-4-methyl-2H-chromen-2-one, C26H22N2O4
Authors of publication	Li, Jing; Jia, Hao-Ran; Sun, Yin-Xia
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	6
Pages of publication	943 - 945
a	8.035 ± 0.003 Å
b	10.387 ± 0.004 Å
c	13.126 ± 0.005 Å
α	83.831 ± 0.01°
β	78.214 ± 0.01°
γ	81.47 ± 0.01°
Cell volume	1057.2 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1616
Weighted residual factors for all reflections included in the refinement	0.183
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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
280833 (current)	2023-02-09	cif/ Adding structures of 8106730 via cif-deposit CGI script.	8106730.cif