Information card for entry 1501610

Structure parameters

• Formula: C45 H56 N4 O10
• Calculated formula: C45 H56 N4 O10
• SMILES: C1CCCO1.C1CCCO1.CCOC(=O)Nc1ccc(cc1)C(c1ccc(cc1)NC(=O)OCC)(c1ccc(cc1)NC(=O)OCC)c1ccc(cc1)NC(=O)OCC
• Title of publication: Molecular tectonics - Use of urethanes and ureas derived from tetraphenylmethane and tetraphenylsilane to build porous chiral hydrogenbonded networks
• Authors of publication: Dominic Laliberté; Thierry Maris; James D. Wuest
• Journal of publication: Can. J. Chem.
• Year of publication: 2004
• Journal volume: 82
• Pages of publication: 386 - 398
• a: 24.9135 ± 0.0008 Å
• b: 24.9135 ± 0.0008 Å
• c: 7.1597 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4443.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No