Crystallography Open Database

Information card for entry 7714695

Preview

Coordinates	7714695.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Galvinoxyl
Formula	C29 H41 O2
Calculated formula	C29 H41 O2
SMILES	O=C1C(=CC(=C[C]2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C1C(C)(C)C)C(C)(C)C
Title of publication	X-ray crystallographic analysis of the antiferromagnetic low-temperature phase of galvinoxyl: investigating magnetic duality in organic radicals.
Authors of publication	Suizu, Rie; Shuku, Yoshiaki; Robert, Vincent; Roseiro, Pablo; Ben Amor, Nadia; Khawar, Zain; Robertson, Neil; Awaga, Kunio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	1961 - 1965
a	10.5123 ± 0.0003 Å
b	10.6991 ± 0.0003 Å
c	22.8903 ± 0.0007 Å
α	90°
β	99.837 ± 0.003°
γ	90°
Cell volume	2536.67 ± 0.13 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
289477 (current)	2024-02-04	cif/ Updating files of 7714695, 7714696 Original log message: Adding full bibliography for 7714695--7714696.cif.	7714695.cif
288287	2023-12-14	cif/ Adding structures of 7714695, 7714696 via cif-deposit CGI script.	7714695.cif