Information card for entry 1516522

Structure parameters

• Formula: C26 H31 N O5
• Calculated formula: C26 H31 N O5
• SMILES: O[C@@]12CC=C(C(C1(C)C)=CC[C@]1(C)CCCC=C1[C@@H]2OC(=O)c1ccc(N(=O)=O)cc1)C
• Title of publication: Highly efficient synthesis of the tricyclic core of taxol by cascade metathesis.
• Authors of publication: Letort, Aurélien; Aouzal, Rémi; Ma, Cong; Long, De-Liang; Prunet, Joëlle
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3300 - 3303
• a: 7.495 ± 0.0006 Å
• b: 10.4454 ± 0.0009 Å
• c: 35.197 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2755.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1565
• Residual factor for significantly intense reflections: 0.1164
• Weighted residual factors for significantly intense reflections: 0.2886
• Weighted residual factors for all reflections included in the refinement: 0.3085
• 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: Yes
• Has Fobs: No