Information card for entry 1513427

Structure parameters

• Formula: C20 H23 N O
• Calculated formula: C20 H23 N O
• SMILES: O1C[C@@H]2C[C@@H](N([C@@H]2c2c1cccc2)CC)c1ccc(cc1)C
• Title of publication: Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.
• Authors of publication: Morin, Marie S. T.; Arndtsen, Bruce A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1056 - 1059
• a: 15.7825 ± 0.0002 Å
• b: 5.8322 ± 0.0001 Å
• c: 18.8095 ± 0.0002 Å
• α: 90°
• β: 113.102 ± 0.001°
• γ: 90°
• Cell volume: 1592.51 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No