Information card for entry 4025107

Structure parameters

• Formula: C24 H36 F2 N4 O4
• Calculated formula: C24 H36 F2 N4 O4
• SMILES: FC1=C(NC2CC([N](=O)C(C2)(C)C)(C)C)C(=O)C(=C(NC2CC([N](=O)C(C2)(C)C)(C)C)C1=O)F
• Title of publication: Spin-Carrying Benzoquinone Derivatives
• Authors of publication: Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 9345 - 9350
• a: 7.9452 ± 0.0005 Å
• b: 13.993 ± 0.003 Å
• c: 22.1344 ± 0.0016 Å
• α: 90°
• β: 93.841 ± 0.002°
• γ: 90°
• Cell volume: 2455.2 ± 0.5 ų
• Cell temperature: 292.1 K
• Ambient diffraction temperature: 292.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No