Information card for entry 7156990

Structure parameters

• Formula: C18 H21 N O4
• Calculated formula: C18 H21 N O4
• Title of publication: Visible light-mediated intermolecular [2 + 2] photocycloaddition of 1-aryl-2-nitroethenes and olefins.
• Authors of publication: Mohr, Lisa-Marie; Bauer, Andreas; Jandl, Christian; Bach, Thorsten
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 30
• Pages of publication: 7192 - 7203
• a: 17.209 ± 0.003 Å
• b: 5.034 ± 0.0008 Å
• c: 19.434 ± 0.003 Å
• α: 90°
• β: 104.812 ± 0.005°
• γ: 90°
• Cell volume: 1627.6 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No