Information card for entry 7106292

Structure parameters

• Formula: C41 H38 N6 O4
• Calculated formula: C41 H38 N6 O4
• Title of publication: Aryl triazole amphiphiles: Planar sheets, spheres and anion binding
• Authors of publication: Fatima Garcia; M. Rosario Torres; Emilio Matesanz; Luis Sanchez
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5016
• a: 33.436 ± 0.004 Å
• b: 5.8453 ± 0.0006 Å
• c: 17.8776 ± 0.0019 Å
• α: 90°
• β: 96.269 ± 0.002°
• γ: 90°
• Cell volume: 3473.2 ± 0.7 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: 0.2415
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.3279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No