Crystallography Open Database

Information card for entry 7115049

Preview

Coordinates	7115049.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 N4
Calculated formula	C48 H50 N4
SMILES	N(c1ccc(C(=C(C(=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1)(C)C
Title of publication	Dual-mode electrochromism switched by proton transfer: dynamic redox properties of bis(diarylmethylenium)-type dyes
Authors of publication	Suzuki, Takanori; Higuchi, Hiroki; Ohkita, Masakazu; Tsuji, Takashi
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	17
Pages of publication	1574
a	14.612 ± 0.003 Å
b	16.076 ± 0.002 Å
c	17.1807 ± 0.0007 Å
α	90°
β	91.792 ± 0.001°
γ	90°
Cell volume	4033.8 ± 1 Å³
Cell temperature	110.2 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 significantly intense reflections	0.057
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7115049.cif
118504	2014-06-30	cif/ Adding structures of 7115048, 7115049, 7115050 via cif-deposit CGI script.	7115049.cif