Crystallography Open Database

Information card for entry 7234267

Preview

Coordinates	7234267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 N O3 S
Calculated formula	C29 H27 N O3 S
SMILES	s1c(C(=O)/C=C/c2ccc(N(c3ccc(OCC)cc3)c3ccc(OCC)cc3)cc2)ccc1
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	12.232 ± 0.005 Å
b	24.846 ± 0.005 Å
c	16.81 ± 0.005 Å
α	90 ± 0.005°
β	100.355 ± 0.005°
γ	90 ± 0.005°
Cell volume	5026 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1603
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1613
Weighted residual factors for all reflections included in the refinement	0.2159
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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.	7234267.cif