Information card for entry 4515675

Structure parameters

• Formula: C17 H20 O7
• Calculated formula: C17 H19 O7
• Title of publication: Visible Light Mediated, Redox Neutral Remote 1,6-Difunctionalizations of Alkenes
• Authors of publication: Shu, Wei; Merino, Estíbaliz; Nevado, Cristina
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6401
• a: 12.9176 ± 0.0003 Å
• b: 15.173 ± 0.0003 Å
• c: 16.7769 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3288.25 ± 0.12 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No