Crystallography Open Database

Information card for entry 4022802

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Coordinates	4022802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H37 I2 N4 O2 Rh
Calculated formula	C38 H36.5 I2 N4 O2 Rh
Title of publication	The Use of Chiral BINAM NHC-Rh(III) Complexes in Enantioselective Hydrosilylation of 3-Oxo-3-arylpropionic Acid Methyl or Ethyl Esters
Authors of publication	Qin Xu; Xingxing Gu; Sijia Liu; Qinyu Dou; Min Shi
Journal of publication	Journal of Organic Chemistry
Year of publication	2007
Journal volume	72
Pages of publication	2240 - 2242
a	9.843 ± 0.002 Å
b	19.5 ± 0.004 Å
c	19.388 ± 0.004 Å
α	90°
β	96.28 ± 0.005°
γ	90°
Cell volume	3698.8 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.1014
Weighted residual factors for significantly intense reflections	0.2643
Weighted residual factors for all reflections included in the refinement	0.2781
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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