Crystallography Open Database

Information card for entry 7159123

Preview

Coordinates	7159123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 N O4
Calculated formula	C22 H23 N O4
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	5.8355 ± 0.0002 Å
b	11.8125 ± 0.0005 Å
c	14.5365 ± 0.0006 Å
α	110.197 ± 0.004°
β	96.116 ± 0.003°
γ	91.402 ± 0.003°
Cell volume	933.05 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1327
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
281560 (current)	2023-03-04	cif/ Updating files of 7159122, 7159123, 7159124, 7159125 Original log message: Adding full bibliography for 7159122--7159125.cif.	7159123.cif
280658	2023-01-29	cif/ Adding structures of 7159122, 7159123, 7159124, 7159125 via cif-deposit CGI script.	7159123.cif