Information card for entry 1501614

Structure parameters

• Formula: C53 H80 N8 O16 y
• Calculated formula: C61 H83.84 N8 O8 S2
• 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: 17.281 ± 0.002 Å
• b: 17.281 ± 0.002 Å
• c: 20.591 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6149.2 ± 1.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1589
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.2505
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.249
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No