Information card for entry 1555502

Structure parameters

• Formula: C21 H24 O6
• Calculated formula: C21 H24 O6
• SMILES: o1c(c(C)c2c(C)cc(OC)c(OC)c12)c1cc(OC)c(OC)c(OC)c1
• Title of publication: Total Synthesis of Integrastatin B Enabled by a Benzofuran Oxidative Dearomatization Cascade.
• Authors of publication: More, Atul A.; Ramana, Chepuri V.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1458 - 1461
• a: 11.9383 ± 0.0008 Å
• b: 10.2634 ± 0.0006 Å
• c: 15.2907 ± 0.0009 Å
• α: 90°
• β: 97.621 ± 0.003°
• γ: 90°
• Cell volume: 1857 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No