Information card for entry 1505454

Structure parameters

• Formula: C20 H30 N2 O2
• Calculated formula: C20 H30 N2 O2
• SMILES: O=C1N(CC(N1C(C)(C)C)/C=C/c1ccc(OC)cc1)C(C)(C)C
• Title of publication: A mild Cu(I)-catalyzed regioselective diamination of conjugated dienes.
• Authors of publication: Yuan, Weicheng; Du, Haifeng; Zhao, Baoguo; Shi, Yian
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2589 - 2591
• a: 8.0156 ± 0.0005 Å
• b: 10.2134 ± 0.0006 Å
• c: 23.4505 ± 0.0013 Å
• α: 90°
• β: 95.475 ± 0.003°
• γ: 90°
• Cell volume: 1911.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1188
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No