Crystallography Open Database

Information card for entry 4071486

Preview

Coordinates	4071486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 O5 P2 W
Calculated formula	C38 H42 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)C)(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	11.5587 ± 0.0001 Å
b	24.323 ± 0.0002 Å
c	15.4742 ± 0.0001 Å
α	90°
β	119.913 ± 0.0003°
γ	90°
Cell volume	3770.92 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0479
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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.	4071486.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071486.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071486.cif
43861	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071486, 4071487 via cif-deposit CGI script.	4071486.cif