Information card for entry 4038546

Structure parameters

• Formula: C23 H35 O5
• Calculated formula: C23 H35 O5
• Title of publication: Development of a Convergent Enantioselective Synthetic Route to (-)-Myrocin G.
• Authors of publication: Tomanik, Martin; Economou, Christos; Frischling, Madeline C.; Xue, Mengzhao; Marks, Victoria A.; Mercado, Brandon Q.; Herzon, Seth B.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 14
• Pages of publication: 8952 - 8989
• a: 19.7853 ± 0.0003 Å
• b: 22.1644 ± 0.0004 Å
• c: 10.4 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4560.7 ± 0.14 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No