Information card for entry 7105096

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C15 H24 O3
• SMILES: O1[C@@]2([C@H]3CC[C@@](O)([C@]43O[C@H]4[C@]1(CC2)C(C)C)C)C.O1[C@]2([C@@H]3CC[C@](O)([C@@]43O[C@@H]4[C@@]1(CC2)C(C)C)C)C
• Title of publication: Stereoselective gold-catalyzed cycloaddition of functionalized ketoenynes: synthesis of (+)-orientalol F
• Authors of publication: Eloísa Jiménez-Núñez; Kian Molawi; Antonio M. Echavarren
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7327 - 7329
• a: 8.7861 ± 0.0005 Å
• b: 8.909 ± 0.0005 Å
• c: 9.9947 ± 0.0006 Å
• α: 106.62 ± 0.003°
• β: 93.492 ± 0.004°
• γ: 109.88 ± 0.003°
• Cell volume: 694.03 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No