Crystallography Open Database

Information card for entry 1573804

Preview

Coordinates	1573804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20
Calculated formula	C24 H20
Title of publication	On the nature of the triplet electronic states of naphthalene dimers.
Authors of publication	Martinez-Fernandez, L; Wu, Peicong; Bao, Lin-Tao; Wang, Xueli; Zhang, Rui-Hua; Wang, Wei; Yang, Hai-Bo; Chen, Jinquan; Improta, R.
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	10
Pages of publication	4469 - 4479
a	8.9248 ± 0.0003 Å
b	8.9248 ± 0.0003 Å
c	20.831 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1659.23 ± 0.18 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	2
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1878
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298792 (current)	2025-04-05	cif/ Updating files of 1573801, 1573802, 1573803, 1573804 Original log message: Adding full bibliography for 1573801--1573804.cif.	1573804.cif
297527	2025-01-30	cif/ Adding structures of 1573801, 1573802, 1573803, 1573804 via cif-deposit CGI script.	1573804.cif