Information card for entry 1554921

Structure parameters

• Formula: C24 H24 N2 O2 S
• Calculated formula: C24 H24 N2 O2 S
• SMILES: n1(c2ccccc2c2ccccc12)/C(=C\NS(=O)(=O)CCCC)c1ccccc1
• Title of publication: Efficient synthesis of C-N-coupled heterobiaryls by sequential N-H functionalization reactions.
• Authors of publication: Lee, Dong Jin; Yoo, Eun Jeong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1830 - 1833
• a: 12.5268 ± 0.001 Å
• b: 10.8502 ± 0.0008 Å
• c: 16.3904 ± 0.0013 Å
• α: 90°
• β: 103.482 ± 0.002°
• γ: 90°
• Cell volume: 2166.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1661
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.2808
• Weighted residual factors for all reflections included in the refinement: 0.3388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No