Information card for entry 7125181

Structure parameters

• Formula: C48 H75 N3 O9
• Calculated formula: C48 H75 N3 O9
• Title of publication: Tuning the structure of 1,3,5-benzene tricarboxamide self-assemblies through stereochemistry.
• Authors of publication: Caumes, Xavier; Baldi, Arianna; Gontard, Geoffrey; Brocorens, Patrick; Lazzaroni, Roberto; Vanthuyne, Nicolas; Troufflard, Claire; Raynal, Matthieu; Bouteiller, Laurent
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 91
• Pages of publication: 13369 - 13372
• a: 12.0223 ± 0.0003 Å
• b: 15.7744 ± 0.0004 Å
• c: 15.908 ± 0.0004 Å
• α: 61.685 ± 0.002°
• β: 76.21 ± 0.002°
• γ: 82.022 ± 0.002°
• Cell volume: 2578.18 ± 0.12 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No