Crystallography Open Database

Information card for entry 1551145

Preview

Coordinates	1551145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 Br3 N2 Si
Calculated formula	C30 H41 Br3 N2 Si
SMILES	Br[Si](Br)(Br)C=C1N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A Vinyl Silylsilylene and its Activation of Strong Homo- and Heteroatomic Bonds
Authors of publication	Roy, Matthew M. D.; Ferguson, Michael J.; McDonald, Robert; Zhou, Yuqiao; Rivard, Eric
Journal of publication	Chemical Science
Year of publication	2019
a	9.3302 ± 0.00015 Å
b	9.63981 ± 0.00015 Å
c	19.2808 ± 0.0003 Å
α	87.0024 ± 0.0011°
β	88.5252 ± 0.0012°
γ	67.0902 ± 0.001°
Cell volume	1595.14 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0762
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	0.974
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
215508 (current)	2019-05-25	cif/ Adding structures of 1551145, 1551146, 1551147, 1551148, 1551149, 1551150 via cif-deposit CGI script.	1551145.cif