Crystallography Open Database

Information card for entry 4072820

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Coordinates	4072820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H103 O10 P2 Rh
Calculated formula	C73 H91 O8 P2 Rh
Title of publication	Effect of the Dihedral Angle of Biaryl-Bridged Bisphosphite Ligands on Enantioselectivity and Regioselectivity of Asymmetric Hydroformylation
Authors of publication	Cobley, Christopher J.; Froese, Robert D. J.; Klosin, Jerzy; Qin, Cheng; Whiteker, Gregory T.; Abboud, Khalil A.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	12
Pages of publication	2986
a	17.472 ± 0.001 Å
b	25.208 ± 0.002 Å
c	16.684 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	7348.2 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.096
Goodness-of-fit parameter for all reflections included in the refinement	0.899
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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