Information card for entry 4516902

Structure parameters

• Formula: C18 H30 O6
• Calculated formula: C18 H30 O6
• SMILES: O[C@]([C@](O)(C1CCCCC1)C(=O)OC)(C1CCCCC1)C(=O)OC
• Title of publication: Synthesis of 2,3-Dialkylated Tartaric Acid Esters via Visible Light Photoredox-Catalyzed Reductive Dimerization of α-Ketoesters.
• Authors of publication: Zhu, Jing; Yuan, Yi; Wang, Shaozhong; Yao, Zhu-Jun
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 4665 - 4677
• a: 10.37 ± 0.002 Å
• b: 16.668 ± 0.004 Å
• c: 13.0761 ± 0.0018 Å
• α: 90°
• β: 124.978 ± 0.01°
• γ: 90°
• Cell volume: 1851.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1227
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No