Crystallography Open Database

Information card for entry 1560841

Preview

Coordinates	1560841.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H34 N2 O
Calculated formula	C49 H34 N2 O
SMILES	O1c2c(C3(c4c1cccc4)c1c(c4c3cc(N(c3ccccc3)c3ccccc3)cc4)ccc(N(c3ccccc3)c3ccccc3)c1)cccc2
Title of publication	Organic Micro-/Nanocrystals of SFX-Based Attractor‒Repulsor Molecules with the Feature of Crystal-Induced Luminescence Enhancement
Authors of publication	Zhang, He; Lin, Dong-Qing; Li, Bo; Liu, Hui-Fang; Wang, Sha-Sha; Wang, Yong-Xia; Sun, Ming-Li; Lin, Zong-Qiong; Yan, Yong; Yu, Meng-Na; Xie, Ling-Hai; Huang, Wei
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2021
Journal volume	125
Journal issue	11
Pages of publication	6249 - 6259
a	10.445 ± 0.003 Å
b	11.048 ± 0.003 Å
c	15.689 ± 0.005 Å
α	97.771 ± 0.007°
β	96.286 ± 0.008°
γ	94.504 ± 0.008°
Cell volume	1775 ± 0.9 Å³
Cell temperature	298.07 K
Ambient diffraction temperature	298.07 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	0.1437
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.1939
Weighted residual factors for all reflections included in the refinement	0.2079
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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
263599 (current)	2021-04-04	cif/ Updating files of 1560840, 1560841 Original log message: Adding full bibliography for 1560840--1560841.cif.	1560841.cif
262777	2021-03-06	cif/ Adding structures of 1560841 via cif-deposit CGI script.	1560841.cif