Information card for entry 4022462

Structure parameters

• Formula: C15 H26 O3
• Calculated formula: C15 H23 O3
• SMILES: O[C@@H]1C([C@@H](C(=C)[C@@H](O)C1)CC[C@](O)(C)C=C)(C)C
• Title of publication: First Enantioselective Synthesis and Absolute Stereochemistry Assignment of New Monocyclic Sesquiterpenes from Artemisia chamaemelifolia
• Authors of publication: Jean-Pierre Uttaro; Gérard Audran; Elie Palombo; Honoré Monti
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 5407 - 5410
• a: 6.985 ± 0.0004 Å
• b: 13.051 ± 0.001 Å
• c: 16.103 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1468 ± 0.2 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: 0.1128
• Residual factor for significantly intense reflections: 0.1075
• Weighted residual factors for significantly intense reflections: 0.2991
• Weighted residual factors for all reflections included in the refinement: 0.3053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No