Information card for entry 4516239

Structure parameters

• Common name: 3a in manuscript
• Formula: C33.5 H31.5 Cl4.5 N2 O5 S2
• Calculated formula: C33.5 H31.5 Cl4.5 N2 O5 S2
• Title of publication: The Carbocation-Catalyzed Intermolecular Formal [2 + 2 + 1] Cycloaddition of Ynamides with Quinoxaline N-Oxides
• Authors of publication: Jin, Hongming; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11663
• a: 34.081 ± 0.003 Å
• b: 10.527 ± 0.0008 Å
• c: 22.0782 ± 0.0018 Å
• α: 90°
• β: 114.326 ± 0.002°
• γ: 90°
• Cell volume: 7217.8 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No