Information card for entry 7230410

Structure parameters

• Formula: C25 H21 Cl2 N O2
• Calculated formula: C25 H21 Cl2 N O2
• Title of publication: Divergent synthesis of dual 1,4-dihydropyridines with different substituted patterns from enaminones and aldehydes through domino reactions
• Authors of publication: Liu, Fu-Jun; Sun, Tian-Tian; Yang, Yun-Gang; Huang, Chao; Chen, Xue-Bing
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 23
• Pages of publication: 12635
• a: 8.7539 ± 0.0014 Å
• b: 10.693 ± 0.0017 Å
• c: 11.5682 ± 0.0018 Å
• α: 90°
• β: 102.694 ± 0.002°
• γ: 90°
• Cell volume: 1056.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No