Crystallography Open Database

Information card for entry 1554245

Preview

Coordinates	1554245.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H20 N2
Calculated formula	C29 H20 N2
SMILES	N#Cc1ccc(cc1)c1ccc(n2c(c3ccccc3)cc(c2)c2ccccc2)cc1
Title of publication	A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Authors of publication	Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	2
Pages of publication	284
a	8.7745 ± 0.0018 Å
b	11.508 ± 0.002 Å
c	20.298 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2049.6 ± 0.7 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	3
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0919
Residual factor for significantly intense reflections	0.0772
Weighted residual factors for significantly intense reflections	0.1932
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.22
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
237061 (current)	2019-11-24	cif/ Adding structures of 1554245, 1554246, 1554247, 1554248, 1554249, 1554250 via cif-deposit CGI script.	1554245.cif