Information card for entry 4512582

Structure parameters

• Formula: C98.91 H133.82 O24.1
• Calculated formula: C98.912 H133.824 O24.098
• 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: 49.7851 ± 0.0012 Å
• b: 49.7851 ± 0.0012 Å
• c: 6.7498 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14488.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No