Information card for entry 1501613

Structure parameters

• Formula: C55 H80 N4 O8
• Calculated formula: C48 H56 N4 O8
• SMILES: O=C(O[C@@H](CC)C)Nc1ccc(C(c2ccc(NC(=O)O[C@@H](CC)C)cc2)(c2ccc(NC(=O)O[C@@H](CC)C)cc2)c2ccc(NC(=O)O[C@@H](CC)C)cc2)cc1.CCCCC
• 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: 17.7201 ± 0.0006 Å
• b: 17.7201 ± 0.0006 Å
• c: 16.0845 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5050.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1946
• Residual factor for significantly intense reflections: 0.1022
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No