Information card for entry 4036169

Structure parameters

• Formula: C26 H30 O6
• Calculated formula: C26 H30 O6
• SMILES: O=C(c1c(cc(OC)c2c1O[C@@H]1[C@H]2[C@H](CC[C@@]1(C)OO)C(C)C)O)CCc1ccccc1
• Title of publication: Enantioselective total syntheses of (+)-hostmanin A, (-)-linderol A, (+)-methyllinderatin and structural reassignment of adunctin E.
• Authors of publication: Dethe, Dattatraya H.; Dherange, Balu D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4526 - 4531
• a: 19.114 ± 0.0018 Å
• b: 20.524 ± 0.002 Å
• c: 5.798 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2274.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1151
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No