Crystallography Open Database

Information card for entry 2020290

2020289 << 2020290 >> 2020291

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Structure parameters

Chemical name	2-[(2'-Hydroxybiphenyl-2-yl)oxy]-5,5-dimethyl-1,3,2-dioxaphosphinane 2-oxide
Formula	C10 H20 O7 P2
Calculated formula	C10 H20 O7 P2
SMILES	P1(=O)(OCC(C)(C)CO1)OP1(=O)OCC(C)(C)CO1
Title of publication	A new route for the synthesis of phosphate esters: 2,2'-[benzene-1,2-diylbis(oxy)]bis(5,5-dimethyl-1,3,2-dioxaphosphinane) 2,2'-dioxide
Authors of publication	Said, Musa A.; Ali, Adeeb Al-Sheikh; Hughes, David L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2015
Journal volume	71
Journal issue	12
a	9.8434 ± 0.0002 Å
b	11.3589 ± 0.0003 Å
c	26.6986 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2985.18 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0527
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181872 (current)	2016-04-06	hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02	2020290.cif 2020290.hkl
170207	2015-11-08	cif/ hkl/ Adding structures of 2020289, 2020290 via cif-deposit CGI script.	2020290.cif 2020290.hkl