Information card for entry 4029577

Structure parameters

• Formula: C76 H98 N10 O8
• Calculated formula: C76 H98 N10 O9
• Title of publication: Expanding the registry of aromatic amide foldamers: folding, photochemistry and assembly using diaza-anthracene units.
• Authors of publication: Berni, Emanuela; Dolain, Christel; Kauffmann, Brice; Léger, Jean-Michel; Zhan, Chuanlang; Huc, Ivan
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2008
• Journal volume: 73
• Journal issue: 7
• Pages of publication: 2687 - 2694
• a: 6.937 ± 0.003 Å
• b: 24.3618 ± 0.001 Å
• c: 43.7079 ± 0.001 Å
• α: 90°
• β: 94.102 ± 0.01°
• γ: 90°
• Cell volume: 7368 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.3359
• Weighted residual factors for all reflections included in the refinement: 0.3651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No