Information card for entry 1547029

Structure parameters

• Formula: C32 H38 N2 O2 S
• Calculated formula: C32 H38 N2 O2 S
• SMILES: S(=O)(=O)(N1/C(=C/CN(Cc2ccccc2)Cc2ccccc2)CC2(C1)CCCCC2)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: 10.3221 ± 0.0013 Å
• b: 12.3513 ± 0.001 Å
• c: 12.897 ± 0.0019 Å
• α: 69.442 ± 0.011°
• β: 80.911 ± 0.012°
• γ: 66.205 ± 0.01°
• Cell volume: 1408.4 ± 0.3 ų
• Cell temperature: 292 ± 0.3 K
• Ambient diffraction temperature: 292 ± 0.3 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: 0.1056
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No