Crystallography Open Database

Information card for entry 1571022

Preview

Coordinates	1571022.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 B N2 O2
Calculated formula	C16 H25 B N2 O2
SMILES	O([B]1([n]2ccc(N(C)C)cc2)C2CCCC1CCC2)C=O
Title of publication	Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration
Authors of publication	Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	7
Pages of publication	1848 - 1853
a	9.8725 ± 0.0005 Å
b	7.3758 ± 0.0004 Å
c	21.882 ± 0.0012 Å
α	90°
β	98.551 ± 0.003°
γ	90°
Cell volume	1575.68 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
290795 (current)	2024-04-05	cif/ Updating files of 1571020, 1571021, 1571022, 1571023, 1571024 Original log message: Adding full bibliography for 1571020--1571024.cif.	1571022.cif
289847	2024-02-17	cif/ Adding structures of 1571020, 1571021, 1571022, 1571023, 1571024 via cif-deposit CGI script.	1571022.cif