Information card for entry 7112162

Structure parameters

• Formula: C27 H27 N O4
• Calculated formula: C27 H27 N O4
• SMILES: C1(C(Cc2ccccc12)(C(=O)OC)C(=O)OC)N(Cc1ccccc1)Cc1ccccc1
• 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: 14.974 ± 0.0015 Å
• b: 19.497 ± 0.002 Å
• c: 7.6466 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2232.4 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No