Information card for entry 7125182

Structure parameters

• Formula: C45.5 H70.75 N3.25 O9.5
• Calculated formula: C45.5 H70.75 N3.25 O9.5
• 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: 11.5502 ± 0.0004 Å
• b: 15.7414 ± 0.0005 Å
• c: 15.8302 ± 0.0005 Å
• α: 61.491 ± 0.002°
• β: 83.352 ± 0.002°
• γ: 79.502 ± 0.002°
• Cell volume: 2485.47 ± 0.15 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: 0.0446
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No