Crystallography Open Database

Information card for entry 4071902

4071901 << 4071902 >> 4071903

Preview

Coordinates	4071902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 O8 Os
Calculated formula	C20 H28 O8 Os
SMILES	[Os]123456(OC(=CC(=[O]1)OC)OC)(C(C(=O)OC)C(=O)OC)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C
Title of publication	Osmium-Catalyzed Allylic Alkylation
Authors of publication	Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	19
Pages of publication	4892
a	12.114 ± 0.002 Å
b	12.583 ± 0.002 Å
c	14.151 ± 0.003 Å
α	90°
β	100.732 ± 0.003°
γ	90°
Cell volume	2119.3 ± 0.7 Å³
Cell temperature	105 ± 2 K
Ambient diffraction temperature	105 ± 2 K
Number of distinct elements	4
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	0.0419
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0716
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
178608 (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 4/07/19.	4071902.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4071902.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071902.cif
44104	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071900, 4071901, 4071902, 4071903 via cif-deposit CGI script.	4071902.cif