Information card for entry 7130296

Structure parameters

• Formula: C27 H31 Au Br N3
• Calculated formula: C27 H31 Au Br N3
• 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: 10.8669 ± 0.0007 Å
• b: 11.9595 ± 0.0008 Å
• c: 19.9146 ± 0.0012 Å
• α: 90°
• β: 100.258 ± 0.002°
• γ: 90°
• Cell volume: 2546.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0553
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No