Information card for entry 4121433

Structure parameters

• Formula: C24 H34 O4
• Calculated formula: C24 H34 O4
• SMILES: O=C1[C@](C[C@@H]2[C@@]([C@@]1(C(=O)C)CC=C)(CCC=CC2)C)(C(=O)OC)CC=C(C)C.O=C1[C@@](C[C@H]2[C@]([C@]1(C(=O)C)CC=C)(CCC=CC2)C)(C(=O)OC)CC=C(C)C
• Title of publication: The Total Syntheses of Guttiferone A and 6-epi-Guttiferone A.
• Authors of publication: Horeischi, Fiene; Biber, Nicole; Plietker, Bernd
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 10
• Pages of publication: 4026 - 4030
• a: 8.6352 ± 0.0006 Å
• b: 10.1575 ± 0.0007 Å
• c: 13.0283 ± 0.0008 Å
• α: 79.15 ± 0.003°
• β: 77.585 ± 0.003°
• γ: 74.196 ± 0.004°
• Cell volume: 1063.56 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0721
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No