Information card for entry 1505455

Structure parameters

• Formula: C15 H26 N2 O3
• Calculated formula: C15 H26 N2 O3
• SMILES: O=C1N(C(CN1C(C)(C)C)/C=C/C(=O)OC)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: 6.6652 ± 0.0003 Å
• b: 10.356 ± 0.0005 Å
• c: 12.7813 ± 0.0006 Å
• α: 109.931 ± 0.002°
• β: 91.021 ± 0.003°
• γ: 104.591 ± 0.003°
• Cell volume: 797.41 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0988
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.241
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No