Information card for entry 4029573

Structure parameters

• Formula: C70 H100 N4 O12
• Calculated formula: C70 H100 N4 O12
• 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: 10.236 ± 0.002 Å
• b: 11.502 ± 0.003 Å
• c: 16.042 ± 0.004 Å
• α: 105.7 ± 0.02°
• β: 102.39 ± 0.02°
• γ: 96.23 ± 0.02°
• Cell volume: 1747.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1202
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2442
• Weighted residual factors for all reflections included in the refinement: 0.2793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No