Information card for entry 4516194

Structure parameters

• Formula: C22 H25 N3 O3
• Calculated formula: C22 H25 N3 O3
• SMILES: c1(ccc2c(c1)C(C1(/C=C/c3ccc(cc3)N(C)C)N2CCO1)(C)C)N(=O)=O
• Title of publication: Oxazolidine Transient Bases as Molecular Platforms for Testing Dynamic CO₂ Capture in Biochemical Systems.
• Authors of publication: Sheng, Lan; Chen, Qiaonan; Wang, Chunyu; Chen, Hongwei; Zhang, Ting; Qin, Tianyou; Li, Minjie; Zhang, Jinyan; Ma, Jing; Zhang, Sean Xiao-An
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 2883 - 2894
• a: 21.333 ± 0.013 Å
• b: 7.865 ± 0.005 Å
• c: 11.834 ± 0.008 Å
• α: 90°
• β: 100.552 ± 0.014°
• γ: 90°
• Cell volume: 1952 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1497
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.3092
• Weighted residual factors for all reflections included in the refinement: 0.3416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No