Information card for entry 7131641

Structure parameters

• Formula: C21 H26 N2 O2 S
• Calculated formula: C21 H26 N2 O2 S
• SMILES: C1c2ccccc2N(/C(=N/S(=O)(=O)c2ccc(cc2)C)C1)CCCCC
• Title of publication: Metal-free transfer hydrogenation/cycloaddition cascade of activated quinolines and isoquinolines with tosyl azides.
• Authors of publication: Yadav, Suman; Kant, Ruchir; Kuram, Malleswara Rao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 46
• Pages of publication: 7088 - 7091
• a: 8.684 ± 0.0001 Å
• b: 16.4916 ± 0.0004 Å
• c: 13.6197 ± 0.0002 Å
• α: 90°
• β: 92.3 ± 0.001°
• γ: 90°
• Cell volume: 1948.95 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No