Information card for entry 7111734

Structure parameters

• Formula: C77.28 H72 O8 S6.56
• Calculated formula: C77.279 H72 O8 S6.558
• 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: 15.7611 ± 0.0009 Å
• b: 17.0636 ± 0.0009 Å
• c: 26.4663 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7117.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No