Crystallography Open Database

Information card for entry 1570605

Preview

Coordinates	1570605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H35 B O2 Si
Calculated formula	C24 H35 B O2 Si
SMILES	B1(OC(C(O1)(C)C)(C)C)[C@H]([C@@H](C)c1ccccc1)c1ccc([Si](C)(C)C)cc1.B1(OC(C(O1)(C)C)(C)C)[C@@H]([C@H](C)c1ccccc1)c1ccc([Si](C)(C)C)cc1
Title of publication	Borylative transition metal-free couplings of vinyl iodides with various nucleophiles, alkenes or alkynes.
Authors of publication	Seidler, Gesa; Schwenzer, Max; Clausen, Florian; Daniliuc, Constantin G.; Studer, Armido
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	5
Pages of publication	1672 - 1678
a	11.8688 ± 0.0002 Å
b	17.6865 ± 0.0003 Å
c	12.6092 ± 0.0003 Å
α	90°
β	116.407 ± 0.001°
γ	90°
Cell volume	2370.71 ± 0.08 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0586
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1091
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
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
289403 (current)	2024-02-04	cif/ Updating files of 1570601, 1570602, 1570603, 1570604, 1570605, 1570606 Original log message: Adding full bibliography for 1570601--1570606.cif.	1570605.cif
288579	2024-01-01	cif/ Adding structures of 1570601, 1570602, 1570603, 1570604, 1570605, 1570606 via cif-deposit CGI script.	1570605.cif