Crystallography Open Database

Information card for entry 4071784

Preview

Coordinates	4071784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 N O W
Calculated formula	C24 H31 N O W
SMILES	[W]1234567(N=O)([c]8([c]4(C)[c]6([c]5([c]28C)C)C)C)[CH]2CCCC([CH]3=2)[CH]7=[CH]1c1ccccc1
Title of publication	Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes
Authors of publication	Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	18
Pages of publication	4724
a	16.821 ± 0.0007 Å
b	12.6397 ± 0.0005 Å
c	9.6412 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2049.84 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0222
Residual factor for significantly intense reflections	0.0178
Weighted residual factors for significantly intense reflections	0.0373
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178606 (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 4/07/17.	4071784.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071784.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071784.cif
44039	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071784 via cif-deposit CGI script.	4071784.cif