Information card for entry 4023581

Structure parameters

• Chemical name: 8,19-Diacetoxy-(7a,9a,18a,20a)-7,9,18,20-tetrahydro- 7,20:9,18-dimethanononaphthacene
• Formula: C58 H34 Cl6 O4
• Calculated formula: C58 H35 Cl6 O4
• Title of publication: Molecular Clips with Extended Aromatic Sidewalls as Receptors for Electron-Acceptor Molecules. Synthesis and NMR, Photophysical, and Electrochemical Properties
• Authors of publication: Barbara Branchi; Vincenzo Balzani; Paola Ceroni; Mireia Campañá Kuchenbrandt; Frank-Gerrit Klärner; Dieter Bläser; Roland Boese
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5839 - 5851
• a: 14.997 ± 0.0007 Å
• b: 16.5112 ± 0.0008 Å
• c: 20.8902 ± 0.001 Å
• α: 89.845 ± 0.003°
• β: 77.689 ± 0.003°
• γ: 69.656 ± 0.002°
• Cell volume: 4724.2 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.1496
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No