Information card for entry 2214715

Structure parameters

• Common name: Desacetylepicaryoptin
• Chemical name: Desacetyl epicaryoptin
• Formula: C20 H30 O6
• Calculated formula: C20 H30 O6
• SMILES: C1C[C@@H]([C@@]2([C@@]3([C@H](C[C@H]([C@@]([C@@H]13)([C@@H]1C[C@H]3C=CO[C@H]3O1)C)C)O)CO)CO2)O
• Title of publication: Desacetyl epicaryoptin
• Authors of publication: S. Soundarya Devi; S. S. Rajan; S. Arvind; G. N. Krishnakumari
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3646 - o3646
• a: 6.643 ± 0.005 Å
• b: 7.997 ± 0.003 Å
• c: 33.23 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.3 ± 1.5 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: 0.1248
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes