Information card for entry 7126013

Structure parameters

• Formula: C17 H18 N2 O4
• Calculated formula: C17 H18 N2 O4
• SMILES: O(C(=O)C(NC)(c1ccccc1)c1ccc(N(=O)=O)cc1)CC
• Title of publication: Arylation and alkenylation of activated alkyl halides using sulfonamides.
• Authors of publication: Johnson, Stuart; Kovács, Ervin; Greaney, Michael F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 21
• Pages of publication: 3222 - 3224
• a: 18.896 ± 0.0005 Å
• b: 15.0948 ± 0.0003 Å
• c: 22.5368 ± 0.0007 Å
• α: 90°
• β: 103.389 ± 0.003°
• γ: 90°
• Cell volume: 6253.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No