Information card for entry 1502559

Structure parameters

• Formula: C19 H24 O5
• Calculated formula: C19 H24 O5
• SMILES: O1C(=O)C2=C[C@@H]1C[C@]1(O[C@H](C(=O)C1)CC(=O)C[C@@H](CC2)C(=C)C)C.O1C(=O)C2=C[C@H]1C[C@@]1(O[C@@H](C(=O)C1)CC(=O)C[C@H](CC2)C(=C)C)C
• Title of publication: Total synthesis of norcembrenolide B and scabrolide D.
• Authors of publication: Saitman, Alec; Rulliere, Pauline; Sullivan, Steven D. E.; Theodorakis, Emmanuel A.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 5854 - 5857
• a: 9.9476 ± 0.001 Å
• b: 12.6198 ± 0.0012 Å
• c: 14.2649 ± 0.0014 Å
• α: 90°
• β: 107.977 ± 0.002°
• γ: 90°
• Cell volume: 1703.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0998
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No