Information card for entry 7159390

Structure parameters

• Formula: C27 H24 N2 O5 S
• Calculated formula: C27 H24 N2 O5 S
• SMILES: O=C1c2ccccc2C(=O)C\1=C1\N[C@H](c2ccccc2)[C@H]([C@@H]1N(=O)=O)c1ccccc1.S(=O)(C)C.O=C1c2ccccc2C(=O)C\1=C1\N[C@@H](c2ccccc2)[C@@H]([C@H]1N(=O)=O)c1ccccc1.S(=O)(C)C
• Title of publication: Synthesis of pyrrolidin-2-ylidenes and pyrrol-2-ylidenes <i>via</i> 1,3-dipolar cycloaddition of H-bond-assisted azomethine ylides to nitrostyrenes.
• Authors of publication: Yavari, Issa; Mohsenzadeh, Ramin; Ravaghi, Parisa; Safaei, Maryam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 25
• Pages of publication: 5265 - 5273
• a: 14.636 ± 0.003 Å
• b: 9.854 ± 0.002 Å
• c: 16.905 ± 0.003 Å
• α: 90°
• β: 96.34 ± 0.03°
• γ: 90°
• Cell volume: 2423.2 ± 0.8 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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 all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No