Information card for entry 7133704

Structure parameters

• Formula: C17 H22 N2 O2
• Calculated formula: C17 H22 N2 O2
• Title of publication: Borane-catalysed C2-selective indole reductive functionalisation.
• Authors of publication: Nicholson, Kieran; McOnie, Sarah L.; Langer, Thomas; Nichol, Gary S.; Thomas, Stephen P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 77
• Pages of publication: 10748 - 10751
• a: 8.5689 ± 0.0002 Å
• b: 14.0796 ± 0.0004 Å
• c: 12.6116 ± 0.0003 Å
• α: 90°
• β: 91.05 ± 0.002°
• γ: 90°
• Cell volume: 1521.29 ± 0.07 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0549
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No