Information card for entry 7124064

Structure parameters

• Common name: ACS-953.T9_150K
• Formula: C21 H23 Br N2 O5
• Calculated formula: C21 H23 Br N2 O5
• Title of publication: Visible Light Photocatalytic Asymmetric Synthesis of Pyrrolo[1,2-a]indoles via Intermolecular [3+2] Cycloaddition
• Authors of publication: Casado-Sanchez, Antonio; Domingo-Legarda, Pablo; Cabrera, Silvia; Aleman, Jose
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 20.4515 ± 0.0007 Å
• b: 6.5902 ± 0.0001 Å
• c: 16.4904 ± 0.0005 Å
• α: 90°
• β: 115.808 ± 0.0014°
• γ: 90°
• Cell volume: 2000.89 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No