Information card for entry 7112161

Structure parameters

• Formula: C19 H27 N O4
• Calculated formula: C19 H27 N O4
• SMILES: c12C(C(Cc1cccc2)(C(=O)OC)C(=O)OC)N(C(C)C)C(C)C
• Title of publication: Expeditious synthesis of 1-aminoindane derivatives achieved by [1,4]-hydride shift mediated C(sp3)-H bond functionalization
• Authors of publication: Keiji Mori; Kazuki Kurihara; Takahiko Akiyama
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3729
• a: 8.131 ± 0.002 Å
• b: 15.863 ± 0.004 Å
• c: 14.367 ± 0.004 Å
• α: 90°
• β: 100.185 ± 0.003°
• γ: 90°
• Cell volume: 1823.9 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• 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: 0.0727
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No