Crystallography Open Database

Information card for entry 1575025

Preview

Coordinates	1575025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 B11 N2 O5 S
Calculated formula	C22 H29 B11 N2 O5 S
Title of publication	Catalytic insertion of nitrenes into B–H bonds
Authors of publication	Ankudinov, Nikita M.; Alexeev, Nikita V.; Podyacheva, Evgeniya S.; Chusov, Denis A.; Lyssenko, Konstantin A.; Perekalin, Dmitry S.
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	15
Pages of publication	6298 - 6306
a	7.0532 ± 0.0008 Å
b	13.9162 ± 0.0015 Å
c	14.4394 ± 0.0016 Å
α	80.019 ± 0.004°
β	81.48 ± 0.004°
γ	81.506 ± 0.004°
Cell volume	1369.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1006
Residual factor for significantly intense reflections	0.0762
Weighted residual factors for significantly intense reflections	0.1809
Weighted residual factors for all reflections included in the refinement	0.1995
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation probe	x-ray
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
300331 (current)	2025-07-04	cif/ Adding structures of 1575024, 1575025, 1575026, 1575027, 1575028 via cif-deposit CGI script.	1575025.cif