Information card for entry 7250414

Structure parameters

• Formula: C52.3 H66.9 O12.15
• Calculated formula: C52.3 H66.9 O12.15
• Title of publication: Synthesis and resolution of a 1,1′-biazulene analogue of BINOL
• Authors of publication: Gee, Anthony P.; Gianga, Tiberiu-M.; Kociok-Köhn, Gabriele; Pantoş, G. Dan; Lewis, Simon E.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 14881 - 14892
• a: 12.6137 ± 0.0001 Å
• b: 16.6885 ± 0.0001 Å
• c: 23.7719 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5004.07 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No