Crystallography Open Database

Information card for entry 1559054

Preview

Coordinates	1559054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 B2 N3 Te
Calculated formula	C30 H48 B2 N3 Te
SMILES	[Te](c1ccccc1)/[B](=C1\N(c2c(cccc2C(C)C)C(C)C)C(C)(C)CC1(C)C)B(N(C)C)N(C)C
Title of publication	Phosphinoborylenes as stable sources of fleeting borylenes
Authors of publication	Pranckevicius, Conor; Weber, Marco; Krummenacher, Ivo; Phukan, Ashwini K.; Braunschweig, Holger
Journal of publication	Chemical Science
Year of publication	2020
a	9.5211 ± 0.001 Å
b	15.981 ± 0.0018 Å
c	20.203 ± 0.002 Å
α	91.628 ± 0.003°
β	90.566 ± 0.003°
γ	91.556 ± 0.003°
Cell volume	3071.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	0.977
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
274567 (current)	2022-04-19	cif/1: Fixing some Z values and formulae	1559054.cif
256331	2020-09-11	cif/ Adding structures of 1559051, 1559052, 1559053, 1559054, 1559055, 1559056 via cif-deposit CGI script.	1559054.cif