Crystallography Open Database

Information card for entry 7058218

Preview

Coordinates	7058218.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 O2
Calculated formula	C28 H18 O2
Title of publication	A tetrathiafulvalene vinylogue-based double-layer polymer thin film as a highly sensitive and selective TNT sensor
Authors of publication	Shahrokhi, Farshid; Zhao, Yuming
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	14
Pages of publication	5277
a	21.0049 ± 0.0017 Å
b	9.4507 ± 0.0007 Å
c	20.2923 ± 0.0016 Å
α	90°
β	90.71 ± 0.002°
γ	90°
Cell volume	4027.9 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0726
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224879 (current)	2019-11-08	cif/ Updating files of 7058217, 7058218 Original log message: Adding full bibliography for 7058217--7058218.cif.	7058218.cif
213896	2019-02-28	cif/ Adding structures of 7058217, 7058218 via cif-deposit CGI script.	7058218.cif