Information card for entry 1507260

Structure parameters

• Common name: 01348
• Formula: C25 H34 O3
• Calculated formula: C25 H34 O3
• SMILES: O1[C@H](CC=C(CC[C@@]2([C@H]3CCCC(C3=CC[C@@H]2C)(C)C)C)C1=O)c1ccoc1
• Title of publication: Total synthesis and stereochemistry of (-)-cacospongionolide F.
• Authors of publication: Demeke, Damtew; Forsyth, Craig J.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 991 - 994
• a: 6.2563 ± 0.0013 Å
• b: 6.9299 ± 0.0014 Å
• c: 13.824 ± 0.003 Å
• α: 80.507 ± 0.003°
• β: 77.19 ± 0.003°
• γ: 68.994 ± 0.003°
• Cell volume: 543.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No