Crystallography Open Database

Information card for entry 4123693

Preview

Coordinates	4123693.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H35 B F4 O5 P Rh
Calculated formula	C26 H35 B F4 O5 P Rh
SMILES	[Rh]123([P@@]4(COc5cccc(c45)c4c(OC)cccc4OC)C(C)(C)C)([OH2])[CH]4=[CH]1C1[CH]3=[CH]2C4C1.[B](F)(F)(F)[F-].O
Title of publication	Synthesis of Chiral α-Amino Tertiary Boronic Esters by Enantioselective Hydroboration of α-Arylenamides.
Authors of publication	Hu, Naifu; Zhao, Guoqing; Zhang, Yuanyuan; Liu, Xiangqian; Li, Guangyu; Tang, Wenjun
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	21
Pages of publication	6746 - 6749
a	10.2826 ± 0.0009 Å
b	8.166 ± 0.0007 Å
c	16.8783 ± 0.0015 Å
α	90°
β	105.643 ± 0.002°
γ	90°
Cell volume	1364.7 ± 0.2 Å³
Cell temperature	130 K
Ambient diffraction temperature	130 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	0.0631
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
138230 (current)	2015-06-05	cif/ Updating files of 4123693, 4123694 Original log message: Adding full bibliography for 4123693--4123694.cif.	4123693.cif
136990	2015-05-20	cif/ Adding structures of 4123693 via cif-deposit CGI script.	4123693.cif