Information card for entry 7158065

Structure parameters

• Chemical name: (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylbismuthane)
• Formula: C39 H32 Bi2 O
• Calculated formula: C39 H32 Bi2 O
• SMILES: [Bi](c1c2Oc3c(C(c2ccc1)(C)C)cccc3[Bi](c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 37.8761 ± 0.0011 Å
• b: 51.185 ± 0.0017 Å
• c: 6.6097 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12814.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No