Crystallography Open Database

Information card for entry 4113216

Preview

Coordinates	4113216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H52 O10 Rh2
Calculated formula	C38 H52 O10 Rh2
SMILES	[O]([Rh]1234[O]=C5C(C)(C)Cc6cccc(c6)CC(C)(C)C(O1)=[O][Rh]14([O]=C(C(C)(C)Cc4cccc(c4)CC(C)(C)C(O1)=[O]3)O2)(O5)[O]=C(C)C)=C(C)C
Title of publication	Expanding the Scope of C-H Amination through Catalyst Design
Authors of publication	Christine G. Espino; Kristin Williams Fiori; Mihyong Kim; J. Du Bois
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15378 - 15379
a	9.731 ± 0.004 Å
b	9.878 ± 0.004 Å
c	11.256 ± 0.005 Å
α	66.441 ± 0.006°
β	84.297 ± 0.007°
γ	73.066 ± 0.007°
Cell volume	948.6 ± 0.7 Å³
Cell temperature	159 K
Ambient diffraction temperature	159 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0268
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0567
Goodness-of-fit parameter for all reflections included in the refinement	0.947
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
178903 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/32.	4113216.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113216.cif
65638	2012-09-05	cif/ Adding structures of 4113216 via cif-deposit CGI script.	4113216.cif