Information card for entry 7061309

Structure parameters

• Formula: C31 H30 O5
• Calculated formula: C31 H30 O5
• SMILES: O(c1cc(OC)cc(OC)c1[C@H]1c2c(O[C@@H](c3ccc(OCc4ccccc4)cc3)C1)cccc2)C.O(c1cc(OC)cc(OC)c1[C@@H]1c2c(O[C@H](c3ccc(OCc4ccccc4)cc3)C1)cccc2)C
• Title of publication: Total synthesis of myristinins A–F and 3′-hydroxy-5,7-dimethoxy-4-O-2′-cycloflavan by iterative generation of o-quinone methides
• Authors of publication: Gharpure, Santosh J.; Jegadeesan, S.; Vishwakarma, Dharmendra S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 5460 - 5463
• a: 8.0204 ± 0.0004 Å
• b: 9.7166 ± 0.0005 Å
• c: 16.0604 ± 0.0008 Å
• α: 83.198 ± 0.004°
• β: 89.949 ± 0.004°
• γ: 82.176 ± 0.004°
• Cell volume: 1231.08 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No