Information card for entry 1503972

Structure parameters

• Formula: C20 H24 O4
• Calculated formula: C20 H24 O4
• SMILES: O=C1C2=C(C=C[C@@H]3[C@]4(CCC[C@@]3(OC4)C2)C)C(=O)C(=C1O)C(C)C
• Title of publication: Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.
• Authors of publication: Majetich, George; Grove, Jeremy L.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 2904 - 2907
• a: 7.711 ± 0.0005 Å
• b: 10.5025 ± 0.0007 Å
• c: 20.8344 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1687.27 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No