Crystallography Open Database

Information card for entry 1554645

Preview

Coordinates	1554645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H21 N O2 S
Calculated formula	C18 H21 N O2 S
SMILES	c12ccccc1S(=O)(=O)c1c(cccc1)N2CCCCCC
Title of publication	The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging
Authors of publication	Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	7
Pages of publication	1391
a	26.477 ± 0.007 Å
b	26.477 ± 0.007 Å
c	12.475 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	7574 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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
238019 (current)	2019-11-24	cif/ Adding structures of 1554641, 1554642, 1554643, 1554644, 1554645, 1554646 via cif-deposit CGI script.	1554645.cif