Crystallography Open Database

Information card for entry 1506874

Preview

Coordinates	1506874.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H82 Cl N2 O P2 Rh
Calculated formula	C52.79 H52 Cl N2 P2 Rh
Title of publication	Arylation of heterocycles via rhodium-catalyzed C-H bond functionalization.
Authors of publication	Lewis, Jared C.; Wiedemann, Sean H.; Bergman, Robert G.; Ellman, Jonathan A.
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	1
Pages of publication	35 - 38
a	10.6406 ± 0.0009 Å
b	11.014 ± 0.001 Å
c	21.713 ± 0.002 Å
α	92.496 ± 0.001°
β	94.349 ± 0.001°
γ	97.292 ± 0.001°
Cell volume	2513.2 ± 0.4 Å³
Cell temperature	151.2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.063
Goodness-of-fit parameter for all reflections included in the refinement	1.865
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1506874.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506874.cif
51512	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506874 via cif-deposit CGI script.	1506874.cif