Crystallography Open Database

Information card for entry 4071487

Preview

Coordinates	4071487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H44 O5 P2 W
Calculated formula	C43 H44 O5 P2 W
SMILES	[W]([P]1(P(C1=C(c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Diastereoselective Formation of Complexed Methylenediphosphiranes
Authors of publication	Jansen, Helen; Rosenthal, Amos J.; Slootweg, J. Chris; Ehlers, Andreas W.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	12
Pages of publication	2868
a	11.3216 ± 0.0004 Å
b	13.2755 ± 0.0004 Å
c	14.5331 ± 0.0003 Å
α	70.009 ± 0.001°
β	78.96 ± 0.002°
γ	75.101 ± 0.001°
Cell volume	1970.75 ± 0.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0181
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for significantly intense reflections	0.0317
Weighted residual factors for all reflections included in the refinement	0.0324
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
178603 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14.	4071487.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071487.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071487.cif
43861	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071486, 4071487 via cif-deposit CGI script.	4071487.cif