Crystallography Open Database

Information card for entry 1562359

Preview

Coordinates	1562359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 Cl6 N2 O2 Sb
Calculated formula	C32 H28 Cl6 N2 O2 Sb
SMILES	COc1ccc(cc1)[n+]1c2c(cccc2)[n+](c2c1cccc2)c1ccc(cc1)OC.c1ccccc1.[Sb](Cl)(Cl)(Cl)([Cl-])(Cl)Cl
Title of publication	Radical Cations of Phenoxazine and Dihydrophenazine Photoredox Catalysts and Their Role as Deactivators in Organocatalyzed Atom Transfer Radical Polymerization
Authors of publication	Corbin, Daniel A.; McCarthy, Blaine G.; van de Lindt, Zach; Miyake, Garret M.
Journal of publication	Macromolecules
Year of publication	2021
Journal volume	54
Journal issue	10
Pages of publication	4726 - 4738
a	7.9631 ± 0.0003 Å
b	10.0144 ± 0.0004 Å
c	11.2341 ± 0.0005 Å
α	100.421 ± 0.002°
β	95.385 ± 0.002°
γ	106.067 ± 0.002°
Cell volume	836.8 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0704
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
265768 (current)	2021-06-04	cif/ Updating files of 1562359, 1562360 Original log message: Adding full bibliography for 1562359--1562360.cif.	1562359.cif
264840	2021-05-05	cif/ Adding structures of 1562359 via cif-deposit CGI script.	1562359.cif