Information card for entry 1507445

Structure parameters

• Formula: C28 H30 N0 O5
• Calculated formula: C28 H46 O5
• SMILES: O([C@H]1CC[C@]2([C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@@H]1O[C@@]3(O[C@](C)(C[C@H]3O)CO)[C@H]([C@H]21)C)C)C)C
• Title of publication: A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins
• Authors of publication: Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 8
• Pages of publication: 1295
• a: 12.57 ± 0.002 Å
• b: 5.901 ± 0.001 Å
• c: 16.872 ± 0.003 Å
• α: 90°
• β: 90.64 ± 0.1°
• γ: 90°
• Cell volume: 1251.4 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.947 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No