Information card for entry 1506645

Structure parameters

• Formula: C30 H28 N O3 P
• Calculated formula: C30 H28 N O3 P
• SMILES: P(=O)(N[C@H]([C@H](C=C)c1ccccc1)c1ccc(cc1)C(=O)OC)(c1ccccc1)c1ccccc1.P(=O)(N[C@@H]([C@@H](C=C)c1ccccc1)c1ccc(cc1)C(=O)OC)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of homoallylic amines by hydrozirconation-imine addition of allenes.
• Authors of publication: Wipf, Peter; Pierce, Joshua G.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 16
• Pages of publication: 3537 - 3540
• a: 10.4622 ± 0.0016 Å
• b: 24.02 ± 0.004 Å
• c: 10.5456 ± 0.0017 Å
• α: 90°
• β: 99.629 ± 0.004°
• γ: 90°
• Cell volume: 2612.8 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2941
• Residual factor for significantly intense reflections: 0.2114
• Weighted residual factors for significantly intense reflections: 0.3576
• Weighted residual factors for all reflections included in the refinement: 0.399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No