Crystallography Open Database

Information card for entry 4037804

Preview

Coordinates	4037804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 N4 O8 Rh2
Calculated formula	C28 H28 N4 O8 Rh2
SMILES	[Rh]123([Rh]4(OC(=O)C)([O]=C(O1)C)(OC(=[O]2)C)[n]1ccccc1c1[n]4cccc1)(OC(=O)C)[n]1ccccc1c1[n]3cccc1
Title of publication	Bimetallic Photoredox Catalysis: Visible Light-Promoted Aerobic Hydroxylation of Arylboronic Acids with a Dirhodium(II) Catalyst.
Authors of publication	Yang, Hsiang-Ming; Liu, Ming-Lun; Tu, Jing-Wen; Miura-Stempel, Emily; Campbell, Michael G.; Chuang, Gary Jing
Journal of publication	The Journal of organic chemistry
Year of publication	2019
a	9.7654 ± 0.0002 Å
b	17.1242 ± 0.0003 Å
c	17.5385 ± 0.0003 Å
α	90°
β	105.677 ± 0.002°
γ	90°
Cell volume	2823.77 ± 0.09 Å³
Cell temperature	99.9 ± 0.5 K
Ambient diffraction temperature	99.9 ± 0.5 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0444
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
246786 (current)	2020-01-14	cif/ Adding structures of 4037804 via cif-deposit CGI script.	4037804.cif