Information card for entry 1570627

Structure parameters

• Formula: C58 H45 Cl2 N
• Calculated formula: C58 H45 Cl2 N
• 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: 10.381 ± 0.0001 Å
• b: 14.348 ± 0.0002 Å
• c: 15.6103 ± 0.0001 Å
• α: 94.929 ± 0.001°
• β: 102.901 ± 0.001°
• γ: 107.046 ± 0.001°
• Cell volume: 2138.07 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No