Information card for entry 1516966

Structure parameters

• Formula: C23 H22 N2 O
• Calculated formula: C23 H22 N2 O
• SMILES: N(C(=O)c1ccccc1)N[C@@H]([C@@H](C=C)c1ccccc1)c1ccccc1.N(C(=O)c1ccccc1)N[C@H]([C@H](C=C)c1ccccc1)c1ccccc1
• Title of publication: Stereocontrol in synthesis of homoallylic amines. Syn selective direct allylation of hydrazones with allylboronic acids.
• Authors of publication: Das, Arindam; Alam, Rauful; Eriksson, Lars; Szabó, Kálmán J
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 3808 - 3811
• a: 9.3932 ± 0.0006 Å
• b: 18.3398 ± 0.0015 Å
• c: 23.3368 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1933
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No