Crystallography Open Database

Information card for entry 4030580

Preview

Coordinates	4030580.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R)-t-butyl(hydroxymethyl)phenylphosphine oxide
Formula	C11 H17 O2 P
Calculated formula	C11 H17 O2 P
Title of publication	Reduction of Functionalized Tertiary Phosphine Oxides with BH3.
Authors of publication	Sowa, Sylwia; Stankevič, Marek; Szmigielska, Anna; Małuszyńska, Hanna; Kozioł, Anna E; Pietrusiewicz, K Michał
Journal of publication	The Journal of organic chemistry
Year of publication	2015
Journal volume	80
Journal issue	3
Pages of publication	1672 - 1688
a	6.195 ± 0.001 Å
b	9.737 ± 0.001 Å
c	19.016 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1147.1 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
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	0.0313
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178484 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/05.	4030580.cif
132939	2015-03-04	cif/ Updating files of 4030580 Original log message: Adding full bibliography for 4030580.cif.	4030580.cif
130745	2015-02-04	cif/ Adding structures of 4030580 via cif-deposit CGI script.	4030580.cif