Crystallography Open Database

Information card for entry 7126533

Preview

Coordinates	7126533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H42 B2 N2 O4
Calculated formula	C58 H42 B2 N2 O4
Title of publication	Synthesis of fully-fused bisboron azomethine complexes and their conjugated polymers with solid-state near-infrared emission.
Authors of publication	Ohtani, Shunsuke; Nakamura, Masashi; Gon, Masayuki; Tanaka, Kazuo; Chujo, Yoshiki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	48
Pages of publication	6575 - 6578
a	17.8827 ± 0.0011 Å
b	7.8947 ± 0.0005 Å
c	15.7916 ± 0.001 Å
α	90°
β	96.353 ± 0.007°
γ	90°
Cell volume	2215.7 ± 0.2 Å³
Cell temperature	106 K
Ambient diffraction temperature	106 K
Number of distinct elements	5
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	0.1561
Residual factor for significantly intense reflections	0.0978
Weighted residual factors for significantly intense reflections	0.1732
Weighted residual factors for all reflections included in the refinement	0.1953
Goodness-of-fit parameter for all reflections included in the refinement	1.144
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
253811 (current)	2020-07-06	cif/ Updating files of 7126533 Original log message: Adding full bibliography for 7126533.cif.	7126533.cif
252033	2020-05-14	cif/ Adding structures of 7126533 via cif-deposit CGI script.	7126533.cif