Information card for entry 2005995

Structure parameters

• Formula: C20 H30 O3
• Calculated formula: C20 H30 O3
• SMILES: C/C1=C/C[C@@H]2C(=C(C)C)C(=O)C[C@@]2(C)C[C@H]([C@]2(O[C@@H]1CC2)C)O
• Title of publication: Euniciniatin
• Authors of publication: Rodríguez, A. D.; González, E.; Huang, S. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 311 - 313
• a: 10.154 ± 0.001 Å
• b: 10.923 ± 0.001 Å
• c: 16.698 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1852 ± 0.3 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 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: 0.0585
• Weighted residual factors for significantly intense reflections: 0.0672
• Goodness-of-fit parameter for significantly intense reflections: 1.584
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No