Information card for entry 1516103

Structure parameters

• Formula: C18 H24 N2 O
• Calculated formula: C18 H24 N2 O
• SMILES: N(O)([C@@H]([C@H](NCc1ccccc1)C)C)Cc1ccccc1.N(O)([C@H]([C@@H](NCc1ccccc1)C)C)Cc1ccccc1
• Title of publication: Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes.
• Authors of publication: Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5082 - 5085
• a: 18.945 ± 0.0007 Å
• b: 8.6958 ± 0.0004 Å
• c: 20.3655 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3355.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.103
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2444
• Weighted residual factors for all reflections included in the refinement: 0.2651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No