Information card for entry 7117705

Structure parameters

• Formula: C50 H70 F12 N4 O2.93 P2
• Calculated formula: C50 H70 F12 N4 O2.928 P2
• Title of publication: Reactivity of a pyridinium-substituted dimethyldihydropyrene switch under aerobic conditions: self-sensitized photo-oxygenation and thermal release of singlet oxygen
• Authors of publication: Saioa Cobo; Frederic Lafolet; Eric Saint-Aman; Christian Philouze; Christophe Bucher; Serena Silvi; Alberto Credi; Guy Royal
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13886
• a: 15.137 ± 0.003 Å
• b: 14.675 ± 0.003 Å
• c: 13.735 ± 0.003 Å
• α: 90°
• β: 114.58 ± 0.03°
• γ: 90°
• Cell volume: 2774.6 ± 1.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.204
• Weighted residual factors for all reflections included in the refinement: 0.2361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No