Crystallography Open Database

Information card for entry 8104591

Preview

Coordinates	8104591.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(1<i>R</i>^^,2<i>S</i>^^)-1,2-bis(2-fluorophenyl)- 3,8-dimethoxyacenaphthene-1,2-diol
Formula	C26 H20 F2 O4
Calculated formula	C26 H20 F2 O4
Title of publication	The crystal structure of (1R ,2S )-1,2-bis(2-fluorophenyl)-3,8-dimethoxyacenaphthene-1,2-diol, C26H20F2O4
Authors of publication	Iitsuka, Hiroaki; Li, Kun; Kobayashi, Miyuki; Iida, Kikuko; Noguchi, Keiichi; Yonezawa, Noriyuki; Okamoto, Akiko
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	6
Pages of publication	1301 - 1304
a	10.3707 ± 0.0002 Å
b	12.0232 ± 0.0002 Å
c	15.7744 ± 0.0003 Å
α	90°
β	90.907 ± 0.001°
γ	90°
Cell volume	1966.65 ± 0.06 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1001
Weighted residual factors for all reflections included in the refinement	0.1013
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273095 (current)	2022-02-22	cif/ Adding structures of 8104591 via cif-deposit CGI script.	8104591.cif