Information card for entry 1507444

Structure parameters

• Formula: C28 H44 N0 O5
• Calculated formula: C28 H44 O5
• SMILES: C1C[C@H](OC)C[C@@H]2CC[C@@H]3[C@@H]([C@@]12C)CC[C@]1([C@H]3C[C@@H]2O[C@]3([C@H]([C@H]12)C)O[C@](C[C@H]3O)(C)CO)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: 17.185 ± 0.004 Å
• b: 7.408 ± 0.0012 Å
• c: 10.45 ± 0.009 Å
• α: 90°
• β: 102.4 ± 0.03°
• γ: 90°
• Cell volume: 1299.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.092
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No