Information card for entry 2217822

Structure parameters

• Chemical name: (<i>E</i>)-(25<i>S</i>)-23-Acetyl-5β-furost-22-ene-3β,26-diol
• Formula: C29 H46 O4
• Calculated formula: C29 H46 O4
• SMILES: OC[C@H](C/C(=C1\O[C@@H]2[C@H]([C@@H]1C)[C@@]1([C@@H](C2)[C@@H]2CC[C@H]3[C@]([C@H]2CC1)(C)CC[C@@H](C3)O)C)C(=O)C)C
• Title of publication: (<i>E</i>)-(25<i>S</i>)-23-Acetyl-5β-furost-22-ene-3β,26-diol
• Authors of publication: Hernández Linares, María-Guadalupe; Sandoval Ramírez, Jesús; Meza Reyes, Socorro; Montiel Smith, Sara; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o613
• a: 23.568 ± 0.002 Å
• b: 7.842 ± 0.0009 Å
• c: 14.784 ± 0.0014 Å
• α: 90°
• β: 101.046 ± 0.005°
• γ: 90°
• Cell volume: 2681.8 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes