Information card for entry 4023950

Structure parameters

• Formula: C20 H28 O3
• Calculated formula: C20 H28 O3
• SMILES: [C@H]12C(=O)C=C(OC)[C@](C[C@H](C1(C)C)CC=C)(C2=O)CC=C(C)C.[C@@H]12C(=O)C=C(OC)[C@@](C[C@@H](C1(C)C)CC=C)(C2=O)CC=C(C)C
• Title of publication: Synthesis of Polyprenylated Acylphloroglucinols Using Bridgehead Lithiation: The Total Synthesis of Racemic Clusianone and a Formal Synthesis of Racemic Garsubellin A
• Authors of publication: Nadia M. Ahmad; Vincent Rodeschini; Nigel S. Simpkins; Simon E. Ward; Alexander J. Blake
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 4803 - 4815
• a: 7.786 ± 0.002 Å
• b: 8.516 ± 0.002 Å
• c: 14.74 ± 0.003 Å
• α: 77.603 ± 0.004°
• β: 81.969 ± 0.004°
• γ: 85.596 ± 0.004°
• Cell volume: 944 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0656
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No