Information card for entry 2011626

Structure parameters

• Common name: eudesmane sesquiterpenoid
• Chemical name: 3β-angloyloxy-4αacetoxy-5αH-furanoeudesmane
• Formula: C22 H30 O5
• Calculated formula: C22 H30 O5
• SMILES: o1c2c(C[C@H]3[C@](OC(=O)C)([C@@H](OC(=O)C(=C/C)\C)CC[C@@]3(C2)C)C)c(c1)C
• Title of publication: Furanoeudesmane-B, a new eudesmane sesquiterpenoid from <i>Myoporum bontioides</i>
• Authors of publication: Wang, Qiguang; Ma, Chunling; Zhai, Jianjun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e569 - e569
• a: 8.854 ± 0.001 Å
• b: 12.122 ± 0.001 Å
• c: 17.708 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1900.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.056
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.039
• Goodness-of-fit parameter for all reflections: 1.421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No