Crystallography Open Database

Information card for entry 7234265

Preview

Coordinates	7234265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 N O S
Calculated formula	C17 H18 N O S
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	8.455 ± 0.002 Å
b	19.449 ± 0.005 Å
c	19.449 Å
α	90°
β	90°
γ	90°
Cell volume	3198.2 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7234265.cif