Information card for entry 7111735

Structure parameters

• Formula: C78 H84 O18 S10
• Calculated formula: C78 H84 O18 S10
• Title of publication: The first members of the octasubstituted naphthalene spider-host series with type I (abababab) conformation: gateway to new nano-host gas storage materials
• Authors of publication: Farrugia, Louis J.; Gall, James H.; MacNicol, David D.; MacSween, Ross
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 5241 - 5243
• a: 15.3025 ± 0.0004 Å
• b: 15.9172 ± 0.0006 Å
• c: 17.7176 ± 0.0005 Å
• α: 92.3031 ± 0.0018°
• β: 97.8882 ± 0.0019°
• γ: 115.439 ± 0.0016°
• Cell volume: 3836.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No