Information card for entry 4514964

Structure parameters

• Formula: C26 H24 O5
• Calculated formula: C26 H24 O5
• SMILES: COc1ccc([C@H]2[C@@H]3c4cc(cc(c4C=C3c3ccc(cc3O2)OC)OC)OC)cc1.COc1ccc([C@@H]2[C@H]3c4cc(cc(c4C=C3c3ccc(cc3O2)OC)OC)OC)cc1
• Title of publication: Studies toward the Total Synthesis of Parvifolals A/B: An Intramolecular <i>o</i>-Quinone Methide [4 + 2]-Cycloaddition To Construct the Central Tetracyclic Core.
• Authors of publication: Paymode, Dinesh J.; Ramana, Chepuri V.
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 810 - 818
• a: 4.6276 ± 0.0002 Å
• b: 44.886 ± 0.002 Å
• c: 9.6881 ± 0.0005 Å
• α: 90°
• β: 94.437 ± 0.002°
• γ: 90°
• Cell volume: 2006.33 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No