Information card for entry 7714696

Structure parameters

• Chemical name: Galvinoxyl
• Formula: C29 H41 O2
• Calculated formula: C29 H41 O2
• SMILES: O=C1C(=C[C](C=C1C(C)(C)C)C=C1C=C(C(=O)C(=C1)C(C)(C)C)C(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: 10.309 ± 0.0015 Å
• b: 12.8561 ± 0.0013 Å
• c: 20.165 ± 0.002 Å
• α: 77.953 ± 0.009°
• β: 81.876 ± 0.011°
• γ: 74.138 ± 0.011°
• Cell volume: 2504.1 ± 0.5 ų
• Cell temperature: 50.15 K
• Ambient diffraction temperature: 50.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2111
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.2909
• Weighted residual factors for all reflections included in the refinement: 0.3362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No