Information card for entry 7123736

Structure parameters

• Formula: C51 H54 N6 O9
• Calculated formula: C51 H54 N6 O9
• Title of publication: Extra hydrogen bonding interactions by peripheral indole groups stabilize benzene-1,3,5-tricarboxamide helical assemblies
• Authors of publication: Basuyaux, Gaëtan; Desmarchelier, Alaric; Gontard, Geoffrey; Vanthuyne, Nicolas; Moussa, Jamal; Amouri, Hani Haniel; Raynal, Matthieu; Bouteiller, Laurent
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 19.4557 ± 0.0004 Å
• b: 19.4557 ± 0.0004 Å
• c: 7.0842 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2322.28 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No