Information card for entry 4033484

Structure parameters

• Formula: C18 H20 Cl N O3
• Calculated formula: C18 H20 Cl N O3
• SMILES: [Cl-].OC[C@H]1[C@H]([NH2+][C@H]([C@@H]1c1ccccc1)C(=O)O)c1ccccc1
• Title of publication: (R)-DM-SEGPHOS-Ag(I)-Catalyzed Enantioselective Synthesis of Pyrrolidines and Pyrrolizidines via (1,3)- and Double (1,3)-Dipolar Cycloaddition Reactions.
• Authors of publication: Ray, Sumit K.; Biswas, Rayhan G.; Suneja, Arun; Sadhu, Milon M.; Singh, Vinod K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 4
• Pages of publication: 2293 - 2308
• a: 8.5819 ± 0.0004 Å
• b: 10.4353 ± 0.0005 Å
• c: 18.294 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1638.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No