Information card for entry 7130297

Structure parameters

• Formula: C26 H34 Au Cl N2 O2
• Calculated formula: C26 H34 Au Cl N2 O2
• SMILES: [Au](=C1N2C([C@@H](C(C)(C)C)OC(=O)C)=CC=CC2=CN1c1c(C(C)C)cccc1C(C)C)Cl
• Title of publication: Convenient synthesis of tricyclic N(1)-C(2)-fused oxazino-indolones via [Au(I)] catalyzed hydrocarboxylation of allenes
• Authors of publication: Pedrazzani, Riccardo; Pinosa, Emanuele; Bertuzzi, Giulio; MONARI, MAGDA; Lauzon, Samuel; Ollevier, Thierry; Bandini, Marco
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.8777 ± 0.0007 Å
• b: 13.2885 ± 0.001 Å
• c: 19.8719 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.04
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No