Crystallography Open Database

Information card for entry 1551872

Preview

Coordinates	1551872.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	o-Cz
Formula	C25 H17 N O
Calculated formula	C25 H17 N O
SMILES	n1(c2c(c3c1cccc3)cccc2)c1c(C(=O)c2ccccc2)cccc1
Title of publication	Two-Photon-Excited Ultralong Organic Room Temperature Phosphorescence by Operating Dual-Channel Triplet Harvesting
Authors of publication	Mao, Zhu; Zhang, Yi; Yang, Zhan; Xu, Chao; Xie, Zongliang; Jiang, Long; Gu, Feng Long; Zhao, Juan; Aldred, Matthew Phillip; Chi, Zhenguo
Journal of publication	Chemical Science
Year of publication	2019
a	11.5634 ± 0.0002 Å
b	15.7484 ± 0.0002 Å
c	10.0607 ± 0.0002 Å
α	90°
β	96.193 ± 0.001°
γ	90°
Cell volume	1821.41 ± 0.05 Å³
Cell temperature	275 ± 6 K
Ambient diffraction temperature	275 ± 6 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1168
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216503 (current)	2019-06-25	cif/ Adding structures of 1551872 via cif-deposit CGI script.	1551872.cif