Crystallography Open Database

Information card for entry 4035121

Preview

Coordinates	4035121.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H18 B N
Calculated formula	C11 H18 B N
SMILES	[N]1(C(c2c(cccc2)C)CC1)(C)[BH3]
Title of publication	Azetidine-Borane Complexes: Synthesis, Reactivity, and Stereoselective Functionalization.
Authors of publication	Andresini, Michael; De Angelis, Sonia; Uricchio, Antonella; Visaggio, Angelica; Romanazzi, Giuseppe; Ciriaco, Fulvio; Corriero, Nicola; Degennaro, Leonardo; Luisi, Renzo
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	17
Pages of publication	10221 - 10230
a	12.82 ± 0.005 Å
b	6.017 ± 0.001 Å
c	14.764 ± 0.005 Å
α	90°
β	104.3 ± 0.03°
γ	90°
Cell volume	1103.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1045
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1986
Weighted residual factors for all reflections included in the refinement	0.2311
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
226607 (current)	2019-11-11	cif/ Adding structures of 4035121 via cif-deposit CGI script.	4035121.cif