Information card for entry 1547031

Structure parameters

• Formula: C31 H30 N2 O2 S
• Calculated formula: C31 H30 N2 O2 S
• SMILES: S(=O)(=O)(n1c(CCN(Cc2ccccc2)Cc2ccccc2)cc2c1cccc2)c1ccc(cc1)C
• Title of publication: Palladium-Catalyzed Dehydrogenative Difunctionalization of Aminoalkenes with Aminals as Oxidants and Electrophiles.
• Authors of publication: Li, Lixin; Zhou, Xibing; Yu, Bangkui; Huang, Hanmin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 4600 - 4603
• a: 9.4795 ± 0.001 Å
• b: 11.0883 ± 0.0012 Å
• c: 13.0819 ± 0.0014 Å
• α: 91.695 ± 0.002°
• β: 97.717 ± 0.002°
• γ: 104.408 ± 0.002°
• Cell volume: 1316.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No