Information card for entry 7158064

Structure parameters

• Chemical name: 4,6-bis(diphenylbismuthanyl)-10,11-dihydrodibenzo[b,f]oxepine
• Formula: C38 H30 Bi2 O
• Calculated formula: C38 H30 Bi2 O
• SMILES: [Bi](c1ccccc1)(c1ccccc1)c1c2Oc3c([Bi](c4ccccc4)c4ccccc4)cccc3CCc2ccc1
• 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: 10.6951 ± 0.0017 Å
• b: 10.8286 ± 0.0012 Å
• c: 13.7009 ± 0.0008 Å
• α: 83.462 ± 0.006°
• β: 88.592 ± 0.009°
• γ: 79.178 ± 0.012°
• Cell volume: 1548.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No