Crystallography Open Database

Information card for entry 7159124

Preview

Coordinates	7159124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39.75 N2 O6.25
Calculated formula	C36 H39.75 N2 O6.25
Title of publication	Synergistic or antagonistic antioxidant combinations - a case study exploring flavonoid-nitroxide hybrids.
Authors of publication	Larin, Astrid C. R.; Pfrunder, Michael C.; Mullen, Kathleen M.; Wiedbrauk, Sandra; Boase, Nathan R.; Fairfull-Smith, Kathryn E
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	8
Pages of publication	1780 - 1792
a	10.664 ± 0.002 Å
b	34.087 ± 0.007 Å
c	8.888 ± 0.0018 Å
α	90°
β	94.83 ± 0.03°
γ	90°
Cell volume	3219.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0647
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.174
Weighted residual factors for all reflections included in the refinement	0.1762
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.7108 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
281560 (current)	2023-03-04	cif/ Updating files of 7159122, 7159123, 7159124, 7159125 Original log message: Adding full bibliography for 7159122--7159125.cif.	7159124.cif
280658	2023-01-29	cif/ Adding structures of 7159122, 7159123, 7159124, 7159125 via cif-deposit CGI script.	7159124.cif