Information card for entry 7155833

Structure parameters

• Formula: C22 H25 Cl N2 O8
• Calculated formula: C22 H25 Cl N2 O8
• SMILES: c1cc(ccc1[C@@H]1[C@@](C#N)(C(=O)OCC)[C@@](C(=O)OC)(CC(=O)OC)N[C@H]1C(=O)OCC)Cl.c1cc(ccc1[C@H]1[C@](C#N)(C(=O)OCC)[C@](C(=O)OC)(CC(=O)OC)N[C@@H]1C(=O)OCC)Cl
• Title of publication: Selective synthesis of tetrahydroimidazo[1,2-a]pyridine and pyrrolidine derivatives via One-pot two-step reaction
• Authors of publication: Zhang, Yu; Sun, Jing; Shen, Guo-Liang; Yan, Chao Guo
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 20.981 ± 0.003 Å
• b: 11.5804 ± 0.0017 Å
• c: 20.012 ± 0.003 Å
• α: 90°
• β: 100.351 ± 0.005°
• γ: 90°
• Cell volume: 4783.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No