Crystallography Open Database

Information card for entry 7234264

Preview

Coordinates	7234264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 N O S
Calculated formula	C16 H19 N S
SMILES	s1c(ccc1)/C=C/c1ccc(N(CC)CC)cc1
Title of publication	Tunable two-photon absorption near-infrared materials containing different electron-donors and a pi-bridge center with applications in bioimaging in live cells
Authors of publication	Ming Kong; Ting Wang; Xiaohe Tian; Fang Wang; Yanqiu Liu; Qiong Zhang; Hui Wang; Hongping Zhou; Jieying Wu; Yupeng Tian
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	5580 - 5588
a	7.698 ± 0.005 Å
b	9.598 ± 0.005 Å
c	20.109 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	1485.8 ± 1.3 Å³
Cell temperature	327 ± 2 K
Ambient diffraction temperature	327 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218960 (current)	2019-10-01	cif/ Adding structures of 7234264, 7234265, 7234266, 7234267 via cif-deposit CGI script.	7234264.cif