Information card for entry 1503599

Structure parameters

• Formula: C24 H34 O4
• Calculated formula: C24 H34 O4
• SMILES: O=C1O[C@]23C(=C1C(=O)C(=C[C@H](C[C@H](CCC[C@H]3C=C([C@H](C2)C)C)C)C)C)OC.O=C1O[C@@]23C(=C1C(=O)C(=C[C@@H](C[C@@H](CCC[C@@H]3C=C([C@@H](C2)C)C)C)C)C)OC
• Title of publication: A concise total synthesis of (±)- and (-)-okilactomycin d.
• Authors of publication: Niu, Dawen; Hoye, Thomas R.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 828 - 831
• a: 10.1195 ± 0.0005 Å
• b: 13.0223 ± 0.0006 Å
• c: 16.5396 ± 0.0007 Å
• α: 90°
• β: 103.812 ± 0.001°
• γ: 90°
• Cell volume: 2116.55 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No