Crystallography Open Database

Information card for entry 7060972

Preview

Coordinates	7060972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H22 N4
Calculated formula	C32 H22 N4
SMILES	n1(c(C=C(C#N)C#N)ccc1)c1ccc(cc1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
Title of publication	A highly selective visual paper-based detector for hydrazine and MCL luminogens based on fluorinated-pyrrole-functionalized triphenylamine
Authors of publication	Zhou, Yuan; Liu, Tingting; Zheng, Shuang; Wang, Xinyuan; Zhang, Mei; Irfan, Majeed; Zhang, Yuanyuan; Wang, Hui; Zeng, Zhuo
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	43
Pages of publication	20173 - 20180
a	16.9114 ± 0.0012 Å
b	8.4024 ± 0.0006 Å
c	35.811 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5088.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0995
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
271193 (current)	2021-12-07	cif/ Updating files of 7060971, 7060972 Original log message: Adding full bibliography for 7060971--7060972.cif.	7060972.cif
269356	2021-09-29	cif/ Adding structures of 7060971, 7060972 via cif-deposit CGI script.	7060972.cif