Crystallography Open Database

Information card for entry 7114734

Preview

Coordinates	7114734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 Cl N2 O5 P2 Si4 W
Calculated formula	C25 H46 Cl N2 O5 P2 Si4 W
SMILES	[W]([P](Cl)(N=C(P=C([Si](C)(C)C)[Si](C)(C)C)N1CCCCC1)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	Strong evidence for stereoselective 1,3-additions of transient nitrilium phosphane-ylide complexes: synthesis of the first 1-aza-3-phosphabuta-1,3-diene complexes
Authors of publication	Streubel, Rainer; Schiemann, Udo; Hoffmann, Nils; Jones, Peter G.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	15
Pages of publication	1334
a	10.854 ± 0.002 Å
b	11.864 ± 0.002 Å
c	29.372 ± 0.004 Å
α	90°
β	94.16 ± 0.02°
γ	90°
Cell volume	3772.3 ± 1.1 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	8
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	0.0446
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
180261 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/47.	7114734.cif
118314	2014-06-29	cif/ Adding structures of 7114734 via cif-deposit CGI script.	7114734.cif