Information card for entry 4514007

Structure parameters

• Formula: C15 H32 N2 O3
• Calculated formula: C15 H32 N2 O3
• SMILES: C(=O)(N[C@H](CN(CCO)CC)C(C)(C)C)OC(C)(C)C
• Title of publication: A Highly Active Polymer-Supported Catalyst for Asymmetric Robinson Annulations in Continuous Flow
• Authors of publication: Cañellas, Santiago; Ayats, Carles; Henseler, Andrea H.; Pericàs, Miquel A.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• a: 9.6788 ± 0.0017 Å
• b: 11.2486 ± 0.0018 Å
• c: 16.793 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1828.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No