Information card for entry 1546006

Structure parameters

• Formula: C15 H27 N O4
• Calculated formula: C15 H27 N O4
• Title of publication: Enantioselective Three-Step Synthesis of Homo-β-proline: A Donor-Acceptor Cyclopropane as Key Intermediate.
• Authors of publication: Pilsl, Ludwig K. A.; Ertl, Thomas; Reiser, Oliver
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 10
• Pages of publication: 2754 - 2757
• a: 6.02696 ± 0.00012 Å
• b: 8.5237 ± 0.00017 Å
• c: 15.8573 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 814.62 ± 0.03 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No