Information card for entry 1555362

Structure parameters

• Formula: C22 H24 N2 O4 S
• Calculated formula: C22 H24 N2 O4 S
• SMILES: S(=O)(=O)(N1C=CC(C(=C1)CC(N(=O)=O)(C)C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Ruthenium-Porphyrin-Catalyzed [4 + 2] Cycloaddition of α,β-Unsaturated Imines and Aldehydes.
• Authors of publication: Maeda, Kazuki; Terada, Takuma; Iwamoto, Takahiro; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 21
• Pages of publication: 5284 - 5287
• a: 15.928 ± 0.004 Å
• b: 11.573 ± 0.003 Å
• c: 11.95 ± 0.003 Å
• α: 90°
• β: 107.075 ± 0.008°
• γ: 90°
• Cell volume: 2105.7 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No