Crystallography Open Database

Information card for entry 7060971

Preview

Coordinates	7060971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 N2 O
Calculated formula	C29 H22 N2 O
SMILES	O=Cc1n(c2ccc(c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)ccc1
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	7.7989 ± 0.0004 Å
b	9.2736 ± 0.0004 Å
c	15.9266 ± 0.0008 Å
α	101.526 ± 0.004°
β	90.3 ± 0.004°
γ	109.404 ± 0.004°
Cell volume	1061.34 ± 0.09 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0451
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
271193 (current)	2021-12-07	cif/ Updating files of 7060971, 7060972 Original log message: Adding full bibliography for 7060971--7060972.cif.	7060971.cif
269356	2021-09-29	cif/ Adding structures of 7060971, 7060972 via cif-deposit CGI script.	7060971.cif