Information card for entry 7051212

Structure parameters

• Formula: C84 H108 N8
• Calculated formula: C83 H106 N8
• Title of publication: Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores
• Authors of publication: Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 1553 - 1566
• a: 11.915 ± 0.003 Å
• b: 12.05 ± 0.004 Å
• c: 13.544 ± 0.002 Å
• α: 105.67 ± 0.02°
• β: 99.141 ± 0.01°
• γ: 93.4 ± 0.02°
• Cell volume: 1837.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2044
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.3179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No