Crystallography Open Database

Information card for entry 4088486

Preview

Coordinates	4088486.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	B-Biphenylborole
Formula	C40 H29 B
Calculated formula	C40 H29 B
SMILES	B1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccccc1
Title of publication	Reactivity of a Phosphaalkyne with Pentaarylboroles
Authors of publication	Barnard, Jonathan H.; Yruegas, Sam; Couchman, Shannon A.; Wilson, David J. D.; Dutton, Jason L.; Martin, Caleb D.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	7
Pages of publication	929
a	11.0877 ± 0.0006 Å
b	11.9227 ± 0.0007 Å
c	12.2107 ± 0.0007 Å
α	68.21 ± 0.002°
β	88.182 ± 0.002°
γ	85.905 ± 0.002°
Cell volume	1495.01 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237611 (current)	2019-11-24	cif/ Adding structures of 4088484, 4088485, 4088486 via cif-deposit CGI script.	4088486.cif