Information card for entry 1555042

Structure parameters

• Formula: C33 H38 N O5
• Calculated formula: C33 H38 N O5
• SMILES: COc1ccc(cc1)COC[C@H](C)[C@H]1C=C[C@H]2CC(=CC[C@@H]2[C@H]1C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1)C
• Title of publication: A chiral auxiliary-based synthesis of the C5‒C17 trans-decalin framework of anthracimycin
• Authors of publication: Freeman, Jared L.; Brimble, Margaret A.; Furkert, Daniel P.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 16
• Pages of publication: 2954
• a: 9.1302 ± 0.0003 Å
• b: 9.1578 ± 0.0005 Å
• c: 10.226 ± 0.0004 Å
• α: 108.986 ± 0.004°
• β: 98.417 ± 0.003°
• γ: 114.037 ± 0.004°
• Cell volume: 698.83 ± 0.07 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No