Information card for entry 7104775

Structure parameters

• Formula: C18 H14 N4 O4
• Calculated formula: C18 H14 N4 O4
• SMILES: c1(ccccc1)Nc1cc(c(cc1N(=O)=O)N(=O)=O)Nc1ccccc1
• Title of publication: Cylindrical sheet formation of oligo-meta-aniline foldamers.
• Authors of publication: Maurizot, Victor; Massip, Stéphane; Léger, Jean-Michel; Déléris, Gérard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 38
• Pages of publication: 5698 - 5700
• a: 10.952 ± 0.006 Å
• b: 11.007 ± 0.003 Å
• c: 14.736 ± 0.005 Å
• α: 90°
• β: 109.9 ± 0.03°
• γ: 90°
• Cell volume: 1670.3 ± 1.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No