Information card for entry 4107223

Structure parameters

• Common name: 07054
• Formula: C25 H23 N O2
• Calculated formula: C25 H23 N O2
• SMILES: O([C@H]([C@]1(C(=O)N(c2c1cccc2)C)c1ccccc1)C=C)Cc1ccccc1
• Title of publication: The Palladium Catalyzed Asymmetric Addition of Oxindoles and Allenes: An Atom-Economical Versatile Method for the Construction of Chiral Indole Alkaloids
• Authors of publication: Barry M. Trost; Jia Xie; Joshua D. Sieber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20611 - 20622
• a: 8.5 ± 0.0008 Å
• b: 10.8183 ± 0.0011 Å
• c: 11.1606 ± 0.0011 Å
• α: 90°
• β: 106.575 ± 0.002°
• γ: 90°
• Cell volume: 983.63 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0329
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No