Information card for entry 7225437

Structure parameters

• Formula: C19 H16 Cl N O5
• Calculated formula: C19 H16 Cl N O5
• SMILES: c1cccc(c1/C=C/N(=O)=O)OC/C(=C\c1ccccc1Cl)C(=O)OC
• Title of publication: Cinchona alkaloid and di-tert-butyldicarbonate-DMAP promoted efficient synthesis of (E)-nitroolefins
• Authors of publication: Paramasivan Thirumalai, Perumal; nataraj, poomathi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.0038 ± 0.0002 Å
• b: 13.6511 ± 0.0003 Å
• c: 14.6295 ± 0.0004 Å
• α: 90°
• β: 102.156 ± 0.0012°
• γ: 90°
• Cell volume: 1757.82 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.046
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No