Crystallography Open Database

Information card for entry 1571193

Preview

Coordinates	1571193.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H46 B Co N O3 P
Calculated formula	C28 H46 B Co N O3 P
SMILES	c1(ccc2c(C[P](C(C)C)(C(C)C)[CoH]34562[c]2([c]6([c]5([c]4([c]32C)C)C)C)C)n1)OB1OC(C)(C)C(C)(C)O1
Title of publication	Cobalt-catalyzed double hydroboration of pyridines
Authors of publication	Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
Journal of publication	Chemical Science
Year of publication	2024
Journal volume	15
Journal issue	14
Pages of publication	5201 - 5210
a	8.5688 ± 0.0005 Å
b	12.8423 ± 0.0005 Å
c	13.3857 ± 0.0005 Å
α	100.81 ± 0.003°
β	95.593 ± 0.004°
γ	92.022 ± 0.004°
Cell volume	1437.81 ± 0.12 Å³
Cell temperature	99.97 ± 0.13 K
Ambient diffraction temperature	99.97 ± 0.13 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0611
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.1494
Weighted residual factors for all reflections included in the refinement	0.1588
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290875 (current)	2024-04-05	cif/ Updating files of 1571191, 1571192, 1571193, 1571194, 1571195 Original log message: Adding full bibliography for 1571191--1571195.cif.	1571193.cif
290412	2024-03-09	cif/ Adding structures of 1571191, 1571192, 1571193, 1571194, 1571195 via cif-deposit CGI script.	1571193.cif