Information card for entry 7121765

Structure parameters

• Formula: C16 H20 O5
• Calculated formula: C16 H20 O5
• 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: 8.5141 ± 0.0019 Å
• b: 7.7265 ± 0.0017 Å
• c: 22.836 ± 0.005 Å
• α: 90°
• β: 94.095 ± 0.003°
• γ: 90°
• Cell volume: 1498.4 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0445
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No