Crystallography Open Database

Information card for entry 1562360

Preview

Coordinates	1562360.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H32 Cl7 N O Sb
Calculated formula	C46.5 H32 Cl7 N O Sb
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	11.6418 ± 0.0005 Å
b	18.8802 ± 0.0007 Å
c	18.9143 ± 0.0007 Å
α	90°
β	91.686 ± 0.002°
γ	90°
Cell volume	4155.6 ± 0.3 Å³
Cell temperature	99.97 K
Ambient diffraction temperature	99.97 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1344
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.185
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1562360.cif
264841	2021-05-05	cif/ Adding structures of 1562360 via cif-deposit CGI script.	1562360.cif