Crystallography Open Database

Information card for entry 7156823

Preview

Coordinates	7156823.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H51 B F24 Ir N2 P
Calculated formula	C68 H51 B F24 Ir N2 P
Title of publication	Enantioselective synthesis of tunable chiral pyridine-aminophosphine ligands and their applications in asymmetric hydrogenation.
Authors of publication	Liu, Youran; Chen, Fei; He, Yan-Mei; Li, Chenghao; Fan, Qing-Hua
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	20
Pages of publication	5099 - 5105
a	12.8895 ± 0.0001 Å
b	18.6285 ± 0.0002 Å
c	13.366 ± 0.0001 Å
α	90°
β	93.067 ± 0.001°
γ	90°
Cell volume	3204.74 ± 0.05 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 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	0.0281
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
225189 (current)	2019-11-08	cif/ Updating files of 7156822, 7156823, 7156824, 7156825, 7156826 Original log message: Adding full bibliography for 7156822--7156826.cif.	7156823.cif
214894	2019-05-02	cif/ Adding structures of 7156822, 7156823, 7156824, 7156825, 7156826 via cif-deposit CGI script.	7156823.cif