Information card for entry 1501611

Structure parameters

• Formula: C44 H56 N4 O12 Si
• Calculated formula: C44 H56 N4 O12 Si
• SMILES: [Si](c1ccc(NC(=O)OCC)cc1)(c1ccc(NC(=O)OCC)cc1)(c1ccc(NC(=O)OCC)cc1)c1ccc(NC(=O)OCC)cc1.O1CCOCC1.O1CCOCC1
• 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: 17.7781 ± 0.0002 Å
• b: 17.7781 ± 0.0002 Å
• c: 7.1904 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2272.6 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2024
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No