Information card for entry 1570431

Structure parameters

• Formula: C33 H30.13 N2 O2
• Calculated formula: C33 H30.1303 N2 O2
• Title of publication: Photocatalytic (3 + 2) dipolar cycloadditions of aziridines driven by visible-light.
• Authors of publication: Mazzarella, Daniele; Bortolato, Tommaso; Pelosi, Giorgio; Dell'Amico, Luca
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 271 - 277
• a: 6.8195 ± 0.0006 Å
• b: 19.5313 ± 0.0009 Å
• c: 20.5319 ± 0.0017 Å
• α: 96.793 ± 0.005°
• β: 95.64 ± 0.007°
• γ: 99.888 ± 0.005°
• Cell volume: 2655.5 ± 0.4 ų
• Cell temperature: 200.15 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2066
• Residual factor for significantly intense reflections: 0.1264
• Weighted residual factors for significantly intense reflections: 0.3063
• Weighted residual factors for all reflections included in the refinement: 0.3943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No