Crystallography Open Database

Information card for entry 1575034

Preview

Coordinates	1575034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 B2 S3
Calculated formula	C28 H34 B2 S3
Title of publication	Ligand non-innocence and an unusual σ-bond metathesis step enables catalytic borylation using 9-borabicyclo-[3.3.1]-nonane
Authors of publication	Bisai, Milan Kumar; Łosiewicz, Justyna; Nichol, Gary S.; Dominey, Andrew P.; Thomas, Stephen P.; Macgregor, Stuart A.; Ingleson, Michael J.
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	21
Pages of publication	9255 - 9263
a	6.45827 ± 0.00007 Å
b	21.26402 ± 0.00019 Å
c	18.39205 ± 0.00017 Å
α	90°
β	94.8085 ± 0.0009°
γ	90°
Cell volume	2516.87 ± 0.04 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300333 (current)	2025-07-04	cif/ Adding structures of 1575032, 1575033, 1575034, 1575035, 1575036, 1575037 via cif-deposit CGI script.	1575034.cif