Information card for entry 1502620

Structure parameters

• Common name: RajanBabu 1717
• Formula: C14 H17 N O3
• Calculated formula: C14 H17 N O3
• SMILES: c12ccccc1N(C(=O)CC[C@]2(C)C(=O)OC)C
• Title of publication: Ethylene in organic synthesis: a new route to anticholenergic pyrrolidinoindolines, and other molecules with all carbon-quaternary centers via asymmetric hydrovinylation.
• Authors of publication: Lim, Hwan Jung; RajanBabu, T. V.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6596 - 6599
• a: 6.3728 ± 0.0001 Å
• b: 12.4132 ± 0.0001 Å
• c: 15.5812 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1232.58 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No