Information card for entry 7121766

Structure parameters

• Formula: C16 H20 O4
• Calculated formula: C16 H20 O4
• Title of publication: Enantioselective total synthesis of sagittacin E and related natural products.
• Authors of publication: Abe, Hideki; Fujimaki, Mitsuru; Nakagawa, Eri; Kobayashi, Toyoharu; Ito, Hisanaka
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 48
• Pages of publication: 6165 - 6168
• a: 7.102 ± 0.003 Å
• b: 8.451 ± 0.003 Å
• c: 24.298 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.3 ± 1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0331
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No