Crystallography Open Database

Information card for entry 4123649

Preview

Coordinates	4123649.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H52 B F24 N4 P2 Rh
Calculated formula	C73 H51.198 B F23.894 N4 P2 Rh
Title of publication	Lewis Acid activation of carbodicarbene catalysts for rh-catalyzed hydroarylation of dienes.
Authors of publication	Roberts, Courtney C.; Matías, Desirée M; Goldfogel, Matthew J.; Meek, Simon J.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	20
Pages of publication	6488 - 6491
a	14.5732 ± 0.0005 Å
b	16.2543 ± 0.0006 Å
c	16.4636 ± 0.0006 Å
α	72.9946 ± 0.0016°
β	69.1536 ± 0.0017°
γ	78.171 ± 0.0016°
Cell volume	3462.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 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 all reflections	0.0352
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
138224 (current)	2015-06-05	cif/ Updating files of 4123649 Original log message: Adding full bibliography for 4123649.cif.	4123649.cif
136660	2015-05-17	cif/ Adding structures of 4123649 via cif-deposit CGI script.	4123649.cif