Crystallography Open Database

Information card for entry 1550807

Preview

Coordinates	1550807.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-(4-cyanophenyl)-carbazole
Chemical name	N-(4-cyanophenyl)-carbazole
Formula	C19 H12 N2
Calculated formula	C19 H12 N2
SMILES	n1(c2c(c3c1cccc3)cccc2)c1ccc(cc1)C#N
Title of publication	Invoking ultralong room temperature phosphorescence of purely organic compounds through H-aggregation engineering
Authors of publication	Yuan, Jie; Wang, Shuang; Ji, Yu; Chen, Runfeng; Zhu, Qi; Wang, Yongrong; Zheng, Chao; Tao, Ye; Fan, Quli; Huang, Wei
Journal of publication	Materials Horizons
Year of publication	2019
Journal volume	6
Journal issue	6
Pages of publication	1259
a	8.2739 ± 0.0012 Å
b	20.681 ± 0.004 Å
c	8.5913 ± 0.0011 Å
α	90°
β	104.937 ± 0.012°
γ	90°
Cell volume	1420.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.077
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
225363 (current)	2019-11-08	cif/ Updating files of 1550807, 1550808, 1550809, 1550810, 1550811 Original log message: Adding full bibliography for 1550807--1550811.cif.	1550807.cif
214403	2019-03-28	cif/ Adding structures of 1550807, 1550808, 1550809, 1550810, 1550811 via cif-deposit CGI script.	1550807.cif