Information card for entry 4101279

Structure parameters

• Formula: C23 H28 N2 O4
• Calculated formula: C23 H28 N2 O4
• SMILES: O=C1N2CC[C@]34[C@H](N(C)c5c3cccc5)[C@]3(O[C@@]24[C@](C[C@@H]1C)(C3)CC)C(=O)OC
• Title of publication: Total synthesis of (-)- and ent-(+)-vindoline and related alkaloids.
• Authors of publication: Ishikawa, Hayato; Elliott, Gregory I; Velcicky, Juraj; Choi, Younggi; Boger, Dale L
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 32
• Pages of publication: 10596 - 10612
• a: 10.1539 ± 0.0015 Å
• b: 11.5677 ± 0.0017 Å
• c: 17.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2061.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No