Information card for entry 1570623

Structure parameters

• Formula: C94 H90 N2
• Calculated formula: C94 H90 N2
• Title of publication: Direct synthesis of spirobifluorenes by formal dehydrative coupling of biaryls and fluorenones.
• Authors of publication: Kato, Yugo; Nishimura, Kazutoshi; Nishii, Yuji; Hirano, Koji
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2112 - 2117
• a: 27.4355 ± 0.0003 Å
• b: 7.9543 ± 0.0001 Å
• c: 31.2422 ± 0.0003 Å
• α: 90°
• β: 91.937 ± 0.001°
• γ: 90°
• Cell volume: 6814.1 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No