Information card for entry 2006225

Structure parameters

• Formula: C19 H31 Cl O4
• Calculated formula: C19 H31 Cl O4
• SMILES: ClC[C@H](O)[C@]1(CC[C@]2([C@@H](CC[C@](C(=O)C)([C@@H]2CC(=O)O)C)C1)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: 6.257 ± 0.001 Å
• b: 15.137 ± 0.003 Å
• c: 9.819 ± 0.002 Å
• α: 90°
• β: 96.56 ± 0.02°
• γ: 90°
• Cell volume: 923.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.0775
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No