Information card for entry 4101278

Structure parameters

• Formula: C31 H46 N2 O4 S Si
• Calculated formula: C31 H46 N2 O4 S Si
• SMILES: S=C1N2CC[C@]34c5ccccc5N([C@H]3[C@@]3(O[C@]24[C@](C3)(C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)CC)C(=O)OC)C
• 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: 11.485 ± 0.002 Å
• b: 13.835 ± 0.003 Å
• c: 19.763 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3140.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1349
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.3026
• Weighted residual factors for all reflections included in the refinement: 0.3222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.217
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No