Information card for entry 1568980

Structure parameters

• Formula: C23 H29 Bi F3 N O5 S
• Calculated formula: C23 H29 Bi F3 N O5 S
• SMILES: [Bi]1(c2c(Nc3c1cc(cc3)C)ccc(c2)C)([O]1CCCC1)[O]1CCCC1.FC(S(=O)(=O)[O-])(F)F
• Title of publication: Insertion of CO₂ and CS₂ into Bi-N bonds enables catalyzed CH-activation and light-induced bismuthinidene transfer.
• Authors of publication: Oberdorf, Kai; Hanft, Anna; Xie, Xiulan; Bickelhaupt, F. Matthias; Poater, Jordi; Lichtenberg, Crispin
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5214 - 5219
• a: 10.16 ± 0.006 Å
• b: 18.258 ± 0.013 Å
• c: 14.044 ± 0.008 Å
• α: 90°
• β: 109.56 ± 0.03°
• γ: 90°
• Cell volume: 2455 ± 3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No