Information card for entry 4518259

Structure parameters

• Formula: C19 H26 O2
• Calculated formula: C19 H26 O2
• Title of publication: Synthesis and Biological Evaluations of Electrophilic Steroids Inspired by the Taccalonolides
• Authors of publication: Clanton, Nicholas A.; Hastings, Shayne D.; Foultz, Griffin B.; Contreras, Julie A.; Yee, Samantha S.; Arman, Hadi D.; Risinger, April L.; Frantz, Doug E.
• Journal of publication: ACS Medicinal Chemistry Letters
• Year of publication: 2020
• a: 7.6756 ± 0.0002 Å
• b: 20.7238 ± 0.0005 Å
• c: 9.8982 ± 0.0003 Å
• α: 90°
• β: 100.184 ± 0.002°
• γ: 90°
• Cell volume: 1549.68 ± 0.07 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No