Information card for entry 7133468

Structure parameters

• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• Title of publication: Auto tandem triple cascade organocatalysis: access to bis-lactone and butenolide derivatives.
• Authors of publication: Wittmann, Stéphane; Deschamps, Elodie; Bournaud, Chloée; Guillot, Regis; Brière, Jean-François; Vo-Thanh, Giang; Toffano, Martial
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 69
• Pages of publication: 9278 - 9281
• a: 6.267 ± 0.0004 Å
• b: 24.5964 ± 0.0017 Å
• c: 8.687 ± 0.0006 Å
• α: 90°
• β: 97.236 ± 0.002°
• γ: 90°
• Cell volume: 1328.4 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No