Crystallography Open Database

Information card for entry 8107619

Preview

Coordinates	8107619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 N O8
Calculated formula	C30 H31 N O8
SMILES	O(c1cc2OC(=C\c3ccc(OCCCCOc4ccc(NC(=O)C)cc4)cc3)/C(=O)c2c(OC)c1OC)C
Title of publication	Crystal structure of (Z)-N-(4-(4-(4-((4,5,6-trimethoxy-3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)butoxy)phenyl)acetamide, C30H31NO8
Authors of publication	Xu, Lian-Hua; Shi, Ju-Mei; Wang, Hua-Bin; Zhou, Ying
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	5
Pages of publication	987 - 989
a	5.2172 ± 0.0001 Å
b	9.2878 ± 0.0002 Å
c	27.2825 ± 0.0005 Å
α	82.199 ± 0.002°
β	88.113 ± 0.002°
γ	81.617 ± 0.002°
Cell volume	1295.66 ± 0.05 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0823
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286922 (current)	2023-10-12	cif/ Adding structures of 8107619 via cif-deposit CGI script.	8107619.cif