Crystallography Open Database

Information card for entry 7218620

Preview

Coordinates	7218620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H38 B O2 P
Calculated formula	C22 H38 B O2 P
SMILES	[BH3][P](C1CCCCC1)(C1CCCCC1)[C@H](c1ccccc1)[C@H](COC)O
Title of publication	Ring-opening of Enantiomerically Pure Oxa-containing Heterocycles with Phosphorus Nucleophiles
Authors of publication	Vidal-Ferran, Anton; Fernández-Pérez, Héctor; Etayo, Pablo; Núñez-Rico, José Luis; Bugga, Balakrishna
Journal of publication	RSC Adv.
Year of publication	2014
a	9.88 Å
b	10.507 Å
c	20.929 Å
α	90°
β	90°
γ	90°
Cell volume	2172.62 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	0.0359
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
180517 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/86.	7218620.cif
126086	2014-10-31	cif/ Adding structures of 7218620, 7218621, 7218622, 7218623, 7218624, 7218625, 7218626 via cif-deposit CGI script.	7218620.cif