Crystallography Open Database

Information card for entry 4032207

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Structure parameters

Formula	C41 H37.5 B F10 N4.5 O2 Rh
Calculated formula	C41 H37.5 B F10 N4.5 O2 Rh
SMILES	[Rh]12([n]3c(oc4c3cc(cc4)C(C)(C)C)c3c1ccc(c3)C(F)(F)F)([n]1c(oc3c1cc(cc3)C(C)(C)C)c1c2ccc(c1)C(F)(F)F)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].N#CC
Title of publication	Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.
Authors of publication	Sun, Gui-Jun; Gong, Jun; Kang, Qiang
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	1
Pages of publication	796 - 803
a	13.2276 ± 0.0004 Å
b	13.4508 ± 0.0003 Å
c	13.5559 ± 0.0004 Å
α	90°
β	118.298 ± 0.004°
γ	90°
Cell volume	2123.65 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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