Information card for entry 1555859

Structure parameters

• Formula: C21 H23 Br N2 O4
• Calculated formula: C21 H23 Br N2 O4
• Title of publication: Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.
• Authors of publication: Lamb, Alan D.; Davey, Peter D.; Driver, Russell W.; Thompson, Amber L.; Smith, Martin D.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 5372 - 5375
• a: 12.2019 ± 0.0001 Å
• b: 15.5905 ± 0.0001 Å
• c: 21.6362 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4115.93 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for all reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No