Crystallography Open Database

Information card for entry 8105167

Preview

Coordinates	8105167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 F2 O4
Calculated formula	C24 H20 F2 O4
SMILES	Fc1cc(ccc1F)COc1ccc(cc1)/C=C/c1c(c(OC)cc(OC)c1)C=O
Title of publication	Crystal structure of (E)-2-(4-((3,4-difluorobenzyl)oxy)styryl)-4,6-dimethoxybenzaldehyde, C24H20F2O4
Authors of publication	Xia, Chun; Xie, Qiang; Ruan, Ban-Feng; Zhou, Ben-Guo
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	545 - 546
a	8.3962 ± 0.0008 Å
b	11.1939 ± 0.0019 Å
c	11.596 ± 0.002 Å
α	64.877 ± 0.017°
β	85.781 ± 0.011°
γ	86.894 ± 0.01°
Cell volume	983.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1294
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.175
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
275100 (current)	2022-05-06	cif/ Adding structures of 8105167 via cif-deposit CGI script.	8105167.cif