Crystallography Open Database

Information card for entry 4104069

Preview

Coordinates	4104069.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	anti-tris[(R)-2'-(1-adamantylcarbonyl)oxy-1,1'-binaphthyl-2-yl]phosphite
Formula	C93 H81 O9 P
Calculated formula	C93 H81 O9 P0.99
Title of publication	Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis
Authors of publication	Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4136 - 4142
a	23.9458 ± 0.0003 Å
b	23.9458 ± 0.0003 Å
c	10.7465 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	5336.5 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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