Information card for entry 4500074

Structure parameters

• Formula: C150 H178 N40 O17 S14
• Calculated formula: C144 H88 N40 O13 S11
• Title of publication: Molecular Tectonics. Porous Hydrogen-Bonded Networks Built from Derivatives of 2,2',7,7'-Tetraphenyl-9,9'-spirobi[9H-fluorene]
• Authors of publication: Eric Demers; Thierry Maris; James D. Wuest
• Journal of publication: Cryst. Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Pages of publication: 1227 - 1235
• a: 13.458 ± 0.002 Å
• b: 17.788 ± 0.002 Å
• c: 20.721 ± 0.003 Å
• α: 81.076 ± 0.008°
• β: 74.96 ± 0.008°
• γ: 70.755 ± 0.008°
• Cell volume: 4509.6 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0957
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No