Information card for entry 7248494

Structure parameters

• Formula: C28 H27 N O5.6
• Calculated formula: C28 H27 N O5.6
• Title of publication: Electrochemically Driven Green Synthesis to Unlock Sustainable Routes to β-Keto Spirolactones
• Authors of publication: MacLean, Ian; García, Montaña J; Cabrera, Silvia; Marzo, Leyre; Aleman, Jose
• Journal of publication: Green Chemistry
• Year of publication: 2024
• a: 8.9013 ± 0.0001 Å
• b: 10.1017 ± 0.0002 Å
• c: 15.3407 ± 0.0003 Å
• α: 93.41 ± 0.002°
• β: 99.781 ± 0.002°
• γ: 103.653 ± 0.002°
• Cell volume: 1313.79 ± 0.04 ų
• Cell temperature: 250 ± 0.1 K
• Ambient diffraction temperature: 250 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2364
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No