Information card for entry 7158063

Structure parameters

• Chemical name: 4,6-bis(dichlorodiphenyl-λ^5^-bismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine
• Formula: C44 H36 Bi2 Cl4 O
• Calculated formula: C44 H36 Bi2 Cl4 O
• Title of publication: Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.
• Authors of publication: Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 22
• Pages of publication: 4922 - 4929
• a: 12.0198 ± 0.0003 Å
• b: 12.1771 ± 0.0007 Å
• c: 15.7796 ± 0.0011 Å
• α: 96.19 ± 0.005°
• β: 103.9 ± 0.004°
• γ: 114.199 ± 0.003°
• Cell volume: 1988.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No