Information card for entry 7112163

Structure parameters

• Formula: C18.5 H24 Cl N3 O3
• Calculated formula: C18.25 H24 Cl N3 O3
• 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: 10.0579 ± 0.0006 Å
• b: 10.0579 ± 0.0006 Å
• c: 36.133 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3655.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No