Information card for entry 2006162

Structure parameters

• Chemical name: 1α,5α-Dihydroxymanoyl oxide
• Formula: C20 H34 O3
• Calculated formula: C20 H34 O3
• SMILES: C=C[C@]1(C)CC[C@@H]2[C@](O1)(C)CC[C@]1([C@@]2(C)[C@H](O)CCC1(C)C)O
• Title of publication: 1α,5α-Dihydroxymanoyl Oxide, a Novel Diterpene from <i>Satureja gilliesii</i>
• Authors of publication: Manríquez, V.; Labbé, C.; Castillo, M.; Wittke, O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 624 - 626
• a: 8.467 ± 0.002 Å
• b: 11.154 ± 0.002 Å
• c: 9.654 ± 0.002 Å
• α: 90°
• β: 92.24 ± 0.02°
• γ: 90°
• Cell volume: 911 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0423
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No