Information card for entry 1502495

Structure parameters

• Formula: C28 H32 O4
• Calculated formula: C28 H32 O4
• SMILES: O1[C@@H]2[C@H]3CC[C@@H](C[C@@H]3[C@@H]3[C@@H]2[C@@H]([C@@H](C=C3)C=C)C(=C2C(=O)O[C@H](C2)Cc2ccc1cc2)O)C
• Title of publication: Bioinspired synthesis of hirsutellones A, B, and C.
• Authors of publication: Nicolaou, K. C.; Sun, Ya-Ping; Sarlah, David; Zhan, Weiqiang; Wu, T. Robert
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 5708 - 5710
• a: 8.521 ± 0.0008 Å
• b: 8.5892 ± 0.0008 Å
• c: 16.5795 ± 0.0015 Å
• α: 90°
• β: 104.826 ± 0.001°
• γ: 90°
• Cell volume: 1173.03 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No