Information card for entry 4029575

Structure parameters

• Formula: C27 H33 N3 O6
• Calculated formula: C26 H33 N4 O6
• SMILES: c1c(c2c(nc1C(=O)OC)c(c1c(c2)c(cc(n1)C(=O)OC)OCC(C)C)C)OCC(C)C.CC#N
• 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: 7.1053 ± 0.0001 Å
• b: 13.1643 ± 0.0002 Å
• c: 15.1583 ± 0.0003 Å
• α: 71.8697 ± 0.0007°
• β: 81.2798 ± 0.0007°
• γ: 86.5898 ± 0.0011°
• Cell volume: 1331.77 ± 0.04 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: 0.0715
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No