Information card for entry 1516967

Structure parameters

• Formula: C20 H24 N2 O
• Calculated formula: C20 H24 N2 O
• SMILES: c1(ccccc1)C(=O)NN[C@H](C(C)C)[C@@H](C=C)c1ccccc1.c1(ccccc1)C(=O)NN[C@@H](C(C)C)[C@H](C=C)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: 9.148 ± 0.0003 Å
• b: 10.4716 ± 0.0004 Å
• c: 10.7014 ± 0.0004 Å
• α: 102.932 ± 0.003°
• β: 112.881 ± 0.003°
• γ: 94.888 ± 0.003°
• Cell volume: 903.42 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No