Information card for entry 4516195

Structure parameters

• Formula: C23 H28 N2 O3 S
• Calculated formula: C23 H28 N2 O3 S
• SMILES: c1(ccc2c(c1)C(C1(/C=C/c3ccc(cc3)N(C)C)N2CCO1)(C)C)S(=O)(=O)C
• 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: 23.398 ± 0.003 Å
• b: 7.4277 ± 0.001 Å
• c: 12.2111 ± 0.0014 Å
• α: 90°
• β: 92.075 ± 0.004°
• γ: 90°
• Cell volume: 2120.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1076
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No