Information card for entry 7241284

Structure parameters

• Formula: C19 H29 N O3
• Calculated formula: C19 H29 N O3
• SMILES: O1[C@H]2[C@H]([C@@H](C1=O)CN1CCCC1)CCC(=C1[C@@H]2[C@](O)(CC1)C)C
• Title of publication: LiCl-promoted amination of β-methoxy amides (γ-lactones)
• Authors of publication: Zhao, Ru; Zeng, Bing-Lin; Jia, Wen-Qiang; Zhao, Hong-Yi; Shen, Long-Ying; Wang, Xiao-Jian; Pan, Xian-Dao
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 57
• Pages of publication: 34938 - 34942
• a: 6.02107 ± 0.00003 Å
• b: 12.63736 ± 0.00006 Å
• c: 23.03193 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1752.51 ± 0.014 ų
• Cell temperature: 170 ± 0.12 K
• Ambient diffraction temperature: 170 ± 0.12 K
• Number of distinct elements: 4
• 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: 0.03
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No