Information card for entry 4023733

Structure parameters

• Formula: C19 H26 N2 O4
• Calculated formula: C19 H26 N2 O4
• SMILES: C1[C@H]2C(=O)N([C@]([C@@H]1C(=O)N([C@]2(CC=C)O)CC=C)(CC=C)O)CC=C.C1[C@@H]2C(=O)N([C@@]([C@H]1C(=O)N([C@@]2(CC=C)O)CC=C)(CC=C)O)CC=C
• Title of publication: Total Synthesis of (±)-α-Isosparteine, (±)-β-Isosparteine, and (±)-Sparteine from a Common Tetraoxobispidine Intermediate
• Authors of publication: Neil R. Norcross; John P. Melbardis; Margarita Ferris Solera; Mark A. Sephton; Colin Kilner; Lev N. Zakharov; Peter C. Astles; Stuart L. Warriner; Paul R. Blakemore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 7939 - 7951
• a: 18.379 ± 0.004 Å
• b: 9.495 ± 0.0019 Å
• c: 11.587 ± 0.002 Å
• α: 90°
• β: 114.014 ± 0.004°
• γ: 90°
• Cell volume: 1847.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No