Crystallography Open Database

Information card for entry 4507144

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Coordinates	4507144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H52 B F26 P2 Rh
Calculated formula	C57 H52 B F26 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	13.1403 ± 0.0001 Å
b	13.1403 ± 0.0001 Å
c	34.4622 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5950.5 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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