Crystallography Open Database

Information card for entry 1559177

Preview

Coordinates	1559177.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 B Cl3 F3 N2 O3 S
Calculated formula	C32 H31 B Cl3 F3 N2 O3 S
SMILES	ClC(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.[n+]12ccc(cc1c1[n](ccc(c1)c1ccccc1)[B]12C2CCCC1CCC2)c1ccccc1
Title of publication	Effects of π-conjugation on the solid-state photoresponsive coloring behavior of bipyridine-boronium complexes.
Authors of publication	Yoshino, Junro; Hirono, Yoshito; Akahane, Ryota; Higuchi, Hiroyuki; Hayashi, Naoto
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2020
Journal volume	19
Journal issue	11
Pages of publication	1517 - 1521
a	14.5487 ± 0.0003 Å
b	15.4322 ± 0.0003 Å
c	28.751 ± 0.0006 Å
α	90°
β	101.544 ± 0.007°
γ	90°
Cell volume	6324.6 ± 0.3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
259623 (current)	2020-12-06	cif/ Updating files of 1559177, 1559178, 1559179, 1559180, 1559181 Original log message: Adding full bibliography for 1559177--1559181.cif.	1559177.cif
256705	2020-09-24	cif/ Adding structures of 1559177, 1559178, 1559179, 1559180, 1559181 via cif-deposit CGI script.	1559177.cif