Information card for entry 1548241

Structure parameters

• Chemical name: N-((S)-2,2-dimethyl-1-(pyridin-2-yl)propyl)-2-((S)-tetrahydrofuran-2-yl)acetamide
• Formula: C16 H23 N2 O2
• Calculated formula: C16 H23 N2 O2
• SMILES: C(=O)(C[C@@H]1CCCO1)N[C@@H](C(C)(C)C)c1ccccn1
• Title of publication: Stereoselective construction of sterically hindered oxaspirocycles <i>via</i> chiral bidentate directing group-mediated C(sp³)-O bond formation.
• Authors of publication: Kim, Yechan; Kim, Seoung-Tae; Kang, Dahye; Sohn, Te-Ik; Jang, Eunyoung; Baik, Mu-Hyun; Hong, Sungwoo
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1473 - 1480
• a: 6.8237 ± 0.0004 Å
• b: 9.6779 ± 0.0006 Å
• c: 23.209 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1532.7 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0349
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.0995
• 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