Information card for entry 4032942

Structure parameters

• Formula: C25 H34 N2 O2 S
• Calculated formula: C25 H34 N2 O2 S
• SMILES: S(=O)(=O)(N[C@@H](c1ccccc1)[C@H]1[C@@H](N2CCCCC2)CCCC1)c1ccc(cc1)C.S(=O)(=O)(N[C@H](c1ccccc1)[C@@H]1[C@H](N2CCCCC2)CCCC1)c1ccc(cc1)C
• Title of publication: Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.
• Authors of publication: Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 20
• Pages of publication: 10968 - 10979
• a: 10.5322 ± 0.0005 Å
• b: 17.1636 ± 0.0008 Å
• c: 12.8157 ± 0.0007 Å
• α: 90°
• β: 90.7235 ± 0.0017°
• γ: 90°
• Cell volume: 2316.5 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No