Information card for entry 2203906

Structure parameters

• Formula: C22 H28 O5
• Calculated formula: C22 H28 O5
• SMILES: o1c2C[C@H]3[C@H]4[C@@H](OC(=O)[C@@H]4c2cc1)[C@H](OC(=O)C)[C@H]1C(CCC[C@]31C)(C)C
• Title of publication: 6α-Acetoxyvouacapan-7β,17β-lactone
• Authors of publication: Rodrigues, Luciano Pereira; Rubinger, Mayura M. M.; Piló-Veloso, Dorila; Malta, Valéria Rodrigues dos Santos; Guilardi, Silvana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1208 - o1210
• a: 9.6398 ± 0.0003 Å
• b: 11.5164 ± 0.0004 Å
• c: 17.1539 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1904.35 ± 0.1 ų
• Cell 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 significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes