Information card for entry 7123118

Structure parameters

• Formula: C59 H46 Cl2 N12 O12
• Calculated formula: C59 H46 Cl2 N12 O12
• Title of publication: Formal [3+2] cycloaddition of vinylcyclopropane azlactones to enals using synergistic catalysis
• Authors of publication: Kamlar, Martin; Franc, Michael; Cisarova, Ivana; Gyepes, Robert; Vesely, Jan
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.0997 ± 0.0008 Å
• b: 11.2837 ± 0.0008 Å
• c: 22.4561 ± 0.0016 Å
• α: 95.057 ± 0.004°
• β: 95.843 ± 0.004°
• γ: 90.981 ± 0.004°
• Cell volume: 2786.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2326
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No