Information card for entry 4115729

Structure parameters

• Formula: C28 H36 N2 O2
• Calculated formula: C28 H36 N2 O2
• Title of publication: Observation of a Hysteretic Phase Transition in a Crystalline Dinitroxide Biradical That Leads to Magnetic Bistability
• Authors of publication: David A. Shultz; Rosario M. Fico; Paul D. Boyle; Jeff W. Kampf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10403 - 10404
• a: 6.1933 ± 0.0004 Å
• b: 11.495 ± 0.001 Å
• c: 17.478 ± 0.002 Å
• α: 104.577 ± 0.008°
• β: 99.635 ± 0.008°
• γ: 94.942 ± 0.008°
• Cell volume: 1176.5 ± 0.2 ų
• Cell temperature: 148 K
• Ambient diffraction temperature: 148 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: 0.052
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No