Information card for entry 7152306

Structure parameters

• Formula: C34 H40 N2
• Calculated formula: C34 H40 N2
• SMILES: N([C@@H]([C@@H](N(Cc1ccccc1)CCC)c1ccccc1)c1ccccc1)(Cc1ccccc1)CCC
• Title of publication: Visible light mediated homo- and heterocoupling of benzyl alcohols and benzyl amines on polycrystalline cadmium sulfide.
• Authors of publication: Mitkina, Tatiana; Stanglmair, Christoph; Setzer, Wolfgang; Gruber, Michael; Kisch, Horst; König, Burkhard
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 17
• Pages of publication: 3556 - 3561
• a: 10.7984 ± 0.0002 Å
• b: 14.414 ± 0.0003 Å
• c: 18.7238 ± 0.0003 Å
• α: 90°
• β: 104.773 ± 0.0019°
• γ: 90°
• Cell volume: 2817.98 ± 0.09 ų
• Cell temperature: 243 K
• Ambient diffraction temperature: 243 K
• Number of distinct elements: 3
• 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: 0.061
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No