Information card for entry 7714695

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 ų
• 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 Fobs: No