Crystallography Open Database

Information card for entry 7058217

Preview

Coordinates	7058217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H38 O4
Calculated formula	C58 H38 O4
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	17.2071 ± 0.0007 Å
b	34.1615 ± 0.0014 Å
c	14.3823 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	8454.2 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	7058217.cif
213896	2019-02-28	cif/ Adding structures of 7058217, 7058218 via cif-deposit CGI script.	7058217.cif