Crystallography Open Database

Information card for entry 4519101

4519100 << 4519101 >> 4519102

Preview

Coordinates	4519101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H55 Co P2
Calculated formula	C30 H55 Co P2
SMILES	[Co]123([P](C4CCCCC4)(C4CCCCC4)CC[P]1(C1CCCCC1)C1CCCCC1)[CH](=[CH]2C3)C
Title of publication	Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes
Authors of publication	Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	20
Pages of publication	12777 - 12784
a	9.1738 ± 0.0017 Å
b	10.045 ± 0.002 Å
c	17.518 ± 0.003 Å
α	90.845 ± 0.006°
β	96.983 ± 0.006°
γ	114.712 ± 0.006°
Cell volume	1451.7 ± 0.5 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	0.1602
Residual factor for significantly intense reflections	0.1351
Weighted residual factors for significantly intense reflections	0.3143
Weighted residual factors for all reflections included in the refinement	0.3252
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
270241 (current)	2021-11-03	cif/ Adding structures of 4519101 via cif-deposit CGI script.	4519101.cif