Crystallography Open Database

Information card for entry 4338983

Preview

Coordinates	4338983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 O3 P2
Calculated formula	C3 H6 O3 P2
SMILES	C1P2COP(O1)OC2
Title of publication	Comparisons of phosphorus ligation properties in P(CH2NR)3P.
Authors of publication	Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9351 - 9363
a	8.389 ± 0.002 Å
b	5.7804 ± 0.0015 Å
c	6.4204 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	311.34 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0702
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179492 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/89.	4338983.cif
117041	2014-06-14	cif/ Adding structures of 4338983 via cif-deposit CGI script.	4338983.cif