Information card for entry 1575658

Structure parameters

• Formula: C50 H50 N2 O10
• Calculated formula: C50 H50 N2 O10
• Title of publication: Silver- and gold-catalyzed divergent cascade cycloisomerization/[3 + 2] <i>versus</i> [2 + 2 + 1] cycloaddition towards a stereoselective access to heterohexacyclic derivatives.
• Authors of publication: Gentilini, Emilie; Bouschon, Anaïs; Davenel, Vincent; Fontaine-Vive, Fabien; Fourquez, Jean-Marie; Michelet, Véronique
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17611 - 17620
• a: 11.1708 ± 0.0003 Å
• b: 12.7473 ± 0.0003 Å
• c: 30.2636 ± 0.0008 Å
• α: 90°
• β: 90.188 ± 0.002°
• γ: 90°
• Cell volume: 4309.44 ± 0.19 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1938
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No