Crystallography Open Database

Information card for entry 4003043

Preview

Coordinates	4003043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O2
Calculated formula	C24 H20 N2 O2
SMILES	O=C1N(CCCCn2c3ccccc3c3ccccc23)C(=O)c2c1cccc2
Title of publication	Multicolor Ultralong Organic Phosphorescence through Alkyl Engineering for 4D Coding Applications
Authors of publication	Wang, Xuan; Ma, Huili; Gu, Mingxing; Lin, Changqing; Gan, Nan; Xie, Zongliang; Wang, He; Bian, Lifang; Fu, Lishun; Cai, Suzhi; Chi, Zhenguo; Yao, Wei; An, Zhongfu; Shi, Huifang; Huang, Wei
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	15
Pages of publication	5584
a	16.771 ± 0.003 Å
b	13.662 ± 0.002 Å
c	8.2368 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1887.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	297.89 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0866
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
220462 (current)	2019-10-29	cif/ Adding structures of 4003043 via cif-deposit CGI script.	4003043.cif