Information card for entry 3000135

Structure parameters

• Common name: 1,1'-binaphthyl
• Chemical name: 1,1'-binaphthyl
• Formula: C20 H14
• Title of publication: ?
• Authors of publication: Roszak Kinga; Katrusiak, Andrzej
• Journal of publication: To be published in PCCP
• a: 21.064 ± 0.015 Å
• b: 6.305 ± 0.004 Å
• c: 10.165 ± 0.003 Å
• α: 90°
• β: 105.11 ± 0.02°
• γ: 90°
• Cell volume: 1303.3 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Cell measurement pressure: 100000 kPa
• Number of distinct elements: 2
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No