Crystallography Open Database

Information card for entry 4063421

Preview

Coordinates	4063421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N O5 P W
Calculated formula	C25 H24 N O5 P W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(c2ccccc2C=C1N(C(C)C)C(C)C)c1ccccc1
Title of publication	Serendipitous Discovery of a Phosphirene‒Phosphindole Rearrangement
Authors of publication	Panichakul, Duanghathai; Mathey, François
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	348 - 351
a	16.1263 ± 0.0003 Å
b	9.4786 ± 0.0002 Å
c	20.0072 ± 0.0003 Å
α	90°
β	127.447 ± 0.001°
γ	90°
Cell volume	2427.95 ± 0.08 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.044
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
178529 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34.	4063421.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063421.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063421.cif
19022	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4063421 via cif-deposit CGI script.	4063421.cif