Crystallography Open Database

Information card for entry 4079508

Preview

Coordinates	4079508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 O5 P W
Calculated formula	C13 H13 O5 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C)[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1
Title of publication	Role of Steric Strain in the Chemistry of Phosphiranes
Authors of publication	Ho, Feny; Li, Yongxin; Mathey, François
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8456
a	6.5754 ± 0.0004 Å
b	8.8183 ± 0.0005 Å
c	13.3673 ± 0.0008 Å
α	72.254 ± 0.002°
β	85.602 ± 0.001°
γ	79.434 ± 0.002°
Cell volume	725.51 ± 0.07 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0284
Residual factor for significantly intense reflections	0.0261
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0555
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
178684 (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 4/07/95.	4079508.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4079508.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079508.cif
72459	2013-01-21	cif/ Adding structures of 4079508 via cif-deposit CGI script.	4079508.cif