Information card for entry 3000144

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: 7.0872 ± 0.0003 Å
• b: 7.0872 ± 0.0003 Å
• c: 27.477 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1380.13 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No