Information card for entry 4022759

Structure parameters

• Formula: C26 H27 Cl N2 O2
• Calculated formula: C26 H27 Cl N2 O2
• SMILES: Clc1ccc(c2c(c(c(Nc3ccccc3)c(N3CCCC3)c2)C)C(=O)OCC)cc1
• Title of publication: Organocatalytic Cascade Reactions Based on Push-Pull Dienamine Platform: Synthesis of Highly Substituted Anilines
• Authors of publication: Dhevalapally B. Ramachary; Kinthada Ramakumar; Vidadala V. Narayana
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1458 - 1463
• a: 10.602 ± 0.002 Å
• b: 10.735 ± 0.002 Å
• c: 11.281 ± 0.002 Å
• α: 77.344 ± 0.003°
• β: 67.507 ± 0.003°
• γ: 83.509 ± 0.003°
• Cell volume: 1156.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No