Information card for entry 4023582

Structure parameters

• Chemical name: 8,19-Dimethoxy-(7a,9a,18a,20a)-7,9,18,20-tetrahydro- 7,20:9,18-dimethanononaphthacene tetracyanobenzene
• Formula: C61 H37 Cl6 N2 O2
• Calculated formula: C61 H37 Cl6 N2 O2
• 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: 34.167 ± 0.003 Å
• b: 14.8708 ± 0.0015 Å
• c: 22.173 ± 0.002 Å
• α: 90°
• β: 117.776 ± 0.002°
• γ: 90°
• Cell volume: 9967.8 ± 1.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2173
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No