Information card for entry 7129606

Structure parameters

• Formula: C28 H28 N2 O5 S
• Calculated formula: C28 H28 N2 O5 S
• Title of publication: Synthesis of Chiral Polycyclic N-Heterocycles via Gold(I)-Catalyzed 1,6-Enyne Cyclization/Intramolecular Nucleophilic Addition
• Authors of publication: Han, Xu; Gaignard-Gaillard, Quentin; Retailleau, Pascal; Gandon, Vincent; Voituriez, Arnaud
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.4255 ± 0.0005 Å
• b: 34.4504 ± 0.0018 Å
• c: 8.2876 ± 0.0005 Å
• α: 90°
• β: 102.801 ± 0.006°
• γ: 90°
• Cell volume: 2624.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0842
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No