Information card for entry 4512581

Structure parameters

• Formula: C21 H28 O6
• Calculated formula: C21 H28 O6
• SMILES: O(C)c1c(OC)c(O)c2CCCCC(O)CCc3ccc(O)c(c1c2)c3.O
• Title of publication: Synthesis, stereochemical analysis, and derivatization of myricanol provide new probes that promote autophagic tau clearance.
• Authors of publication: Martin, Mackenzie D.; Calcul, Laurent; Smith, Courtney; Jinwal, Umesh K.; Fontaine, Sarah N.; Darling, April; Seeley, Kent; Wojtas, Lukasz; Narayan, Malathi; Gestwicki, Jason E.; Smith, Garry R.; Reitz, Allen B.; Baker, Bill J.; Dickey, Chad A.
• Journal of publication: ACS chemical biology
• Year of publication: 2015
• Journal volume: 10
• Journal issue: 4
• Pages of publication: 1099 - 1109
• a: 10.2863 ± 0.0007 Å
• b: 18.1078 ± 0.0013 Å
• c: 10.1523 ± 0.0007 Å
• α: 90°
• β: 94.602 ± 0.004°
• γ: 90°
• Cell volume: 1884.9 ± 0.2 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: 0.0571
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No