Information card for entry 2006224

Structure parameters

• Formula: C19 H30 O5
• Calculated formula: C19 H30 O5
• SMILES: O=C(O)C[C@H]1[C@@](C(=O)C)(CC[C@@H]2[C@@]1(CC[C@@](C2)(C(=O)CO)C)C)C
• Title of publication: Two Dolabrane-type Diterpenoids
• Authors of publication: Damas, Ana M.; Kijjoa, Anake; Pinto, Madalena
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 755 - 757
• a: 6.212 ± 0.001 Å
• b: 10.162 ± 0.005 Å
• c: 27.589 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1741.6 ± 1 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: 0.0422
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.1156
• Weighted residual factors for significantly intense reflections: 0.0996
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No