Crystallography Open Database

Information card for entry 7058768

Preview

Coordinates	7058768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 O S
Calculated formula	C22 H16 O S
Title of publication	Nature of the E⋯E′ interactions (E, E′ = O, S, Se, and Te) at naphthalene 1,8-positions with fine details of the structures: experimental and theoretical investigations
Authors of publication	Hayashi, Satoko; Uegaito, Manabu; Nishide, Taro; Tanaka, Eiichiro; Nakanishi, Waro; Sasamori, Takahiro; Tokitoh, Norihiro; Minoura, Mao
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	36
Pages of publication	14224
a	8.2047 ± 0.0002 Å
b	15.2729 ± 0.0003 Å
c	13.059 ± 0.0003 Å
α	90°
β	92.9933 ± 0.0008°
γ	90°
Cell volume	1634.18 ± 0.06 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.0993
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
224942 (current)	2019-11-08	cif/ Updating files of 7058768, 7058769, 7058770, 7058771, 7058772, 7058773 Original log message: Adding full bibliography for 7058768--7058773.cif.	7058768.cif
217697	2019-08-24	cif/ Adding structures of 7058768, 7058769, 7058770, 7058771, 7058772, 7058773 via cif-deposit CGI script.	7058768.cif