Information card for entry 1507995

Structure parameters

• Formula: C30 H38 O4
• Calculated formula: C30 H38 O4
• SMILES: O=C1[C@@]2(C([C@H](C[C@]1(C(=O)C(=C2OC)C(=O)c1ccccc1)CC=C(C)C)CC=C(C)C)(C)C)C.O=C1[C@]2(C([C@@H](C[C@@]1(C(=O)C(=C2OC)C(=O)c1ccccc1)CC=C(C)C)CC=C(C)C)(C)C)C
• Title of publication: The total synthesis of hyperpapuanone, hyperibone L, epi-clusianone and oblongifolin A.
• Authors of publication: Biber, Nicole; Möws, Katrin; Plietker, Bernd
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 938 - 942
• a: 14.2028 ± 0.0018 Å
• b: 8.4774 ± 0.0009 Å
• c: 22.6154 ± 0.0016 Å
• α: 90°
• β: 107.307 ± 0.008°
• γ: 90°
• Cell volume: 2599.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1633
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.2036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No