Crystallography Open Database

Information card for entry 4507145

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Coordinates	4507145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H49 B F25 P2 Rh
Calculated formula	C52 H49 B F25 P2 Rh
Title of publication	Exploring Small Bite-Angle Ligands for the Rhodium-Catalyzed Intermolecular Hydroacylation of β-S-Substituted Aldehydes with 1-Octene and 1-Octyne
Authors of publication	Pernik, Indrek; Hooper, Joel F.; Chaplin, Adrian B.; Weller, Andrew S.; Willis, Michael C.
Journal of publication	ACS Catalysis
Year of publication	2012
Journal volume	2
Journal issue	12
Pages of publication	2779
a	17.7994 ± 0.0001 Å
b	17.3901 ± 0.0002 Å
c	19.0524 ± 0.0002 Å
α	90°
β	109.328 ± 0.0004°
γ	90°
Cell volume	5564.97 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0637
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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