Information card for entry 1501970

Structure parameters

• Formula: C29 H28 O8
• Calculated formula: C29 H28 O8
• SMILES: OC(=O)c1c(OC)cc(OC)cc1c1c(O)c2c(OC)cc(OC)cc2cc1COCc1ccccc1
• Title of publication: Synthetic studies toward A-74528.
• Authors of publication: Hager, Anastasia; Mazunin, Dmitry; Mayer, Peter; Trauner, Dirk
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1386 - 1389
• a: 18.0088 ± 0.0008 Å
• b: 8.1117 ± 0.0003 Å
• c: 18.6667 ± 0.0009 Å
• α: 90°
• β: 113.387 ± 0.005°
• γ: 90°
• Cell volume: 2502.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0808
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No