Crystallography Open Database

Information card for entry 1543746

Preview

Coordinates	1543746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H40 B2 O4
Calculated formula	C35 H40 B2 O4
Title of publication	Probing the nature of peripheral boryl groups within luminescent tellurophenes.
Authors of publication	Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric
Journal of publication	Faraday discussions
Year of publication	2017
Journal volume	196
Pages of publication	255 - 268
a	6.3523 ± 0.0002 Å
b	8.0207 ± 0.0002 Å
c	16.3894 ± 0.0004 Å
α	92.3795 ± 0.0018°
β	95.9413 ± 0.0018°
γ	110.114 ± 0.0017°
Cell volume	777.24 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1701
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
193858 (current)	2017-03-05	cif/ Updating files of 1543746, 1543747, 1543748 Original log message: Adding full bibliography for 1543746--1543748.cif.	1543746.cif
184716	2016-07-29	cif/ Adding structures of 1543746, 1543747, 1543748 via cif-deposit CGI script.	1543746.cif