Information card for entry 1507713

Structure parameters

• Formula: C23 H21.5 Br0.5 F2 N3 O
• Calculated formula: C23 H21.5 Br0.5 F2 N3 O
• Title of publication: Direct and highly enantioselective iso-Pictet-Spengler reactions with α-ketoamides: access to underexplored indole core structures.
• Authors of publication: Schönherr, Heike; Leighton, James L.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 2610 - 2613
• a: 12.772 ± 0.001 Å
• b: 18.1424 ± 0.0015 Å
• c: 17.4735 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4048.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No