Crystallography Open Database

Information card for entry 7116448

Preview

Coordinates	7116448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H21 B N P
Calculated formula	C12 H21 B N P
SMILES	[P@@]([BH3])(/N=C/c1ccccc1)(C)C(C)(C)C
Title of publication	Borane as an efficient directing group. Stereoselective 1,2-addition of organometallic reagents to borane P-stereogenic N-phosphanylimines
Authors of publication	Areli Flores-Gaspar; Silvia Orgue; Arnald Grabulosa; Antoni Riera; Xavier Verdaguer
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	1941
a	10.793 ± 0.0018 Å
b	11.0539 ± 0.0018 Å
c	11.3385 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1352.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	0.863
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
180278 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/64.	7116448.cif
130060	2015-01-22	cif/ Adding structures of 7116447, 7116448 via cif-deposit CGI script.	7116448.cif