Information card for entry 4122946

Structure parameters

• Formula: C23 H23 N3 O2
• Calculated formula: C23 H23 N3 O2
• SMILES: O=C1Nc2c(cccc2)C(=O)N2[C@H]3Nc4ccccc4[C@@]3(C(C=C)(C)C)C[C@H]12
• Title of publication: Ir-Catalyzed Reverse Prenylation of 3-Substituted Indoles: Total Synthesis of (+)-Aszonalenin and (-)-Brevicompanine B.
• Authors of publication: Ruchti, Jonathan; Carreira, Erick M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141119074653005
• a: 9.0926 ± 0.0007 Å
• b: 10.6133 ± 0.0008 Å
• c: 9.8276 ± 0.0008 Å
• α: 90°
• β: 96.206 ± 0.002°
• γ: 90°
• Cell volume: 942.83 ± 0.13 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No