Crystallography Open Database

Information card for entry 8000286

Preview

Coordinates	8000286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H32 N2 O
Calculated formula	C50 H32 N2 O
Title of publication	Fine Modulation of the Higher-Order Excitonic States toward More Efficient Conversion from Upper-Level Triplet to Singlet.
Authors of publication	Xu, Yuwei; Wang, Cong; Zhou, Xuehong; Zhou, Jiadong; Guo, Xiaomin; Liang, Xiaoming; Hu, Dehua; Li, Feng; Ma, Dongge; Ma, Yuguang
Journal of publication	The journal of physical chemistry letters
Year of publication	2019
Pages of publication	6878 - 6884
a	9.5474 ± 0.0003 Å
b	13.5232 ± 0.0004 Å
c	13.8528 ± 0.0004 Å
α	96.265 ± 0.002°
β	101.881 ± 0.002°
γ	94.046 ± 0.002°
Cell volume	1731.81 ± 0.09 Å³
Cell temperature	100 ± 0.9 K
Ambient diffraction temperature	100 ± 0.9 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	0.0585
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1384
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
219631 (current)	2019-10-28	cif/ Adding structures of 8000286 via cif-deposit CGI script.	8000286.cif