Information card for entry 2212432

Structure parameters

• Chemical name: Diethyl 2,3-O-benzylidene-D-tartarate
• Formula: C15 H18 O6
• Calculated formula: C15 H18 O6
• SMILES: c1(ccccc1)C1O[C@@H]([C@@H](C(=O)OCC)O1)C(=O)OCC
• Title of publication: (2<i>S</i>,3<i>S</i>)-Diethyl 2,3-<i>O</i>-benzylidenetartrate
• Authors of publication: Jiang, Jian; Pan, Yong; Wang, De-Cai; Ou-yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1093 - o1094
• a: 7.54 ± 0.0015 Å
• b: 26.5 ± 0.005 Å
• c: 8.21 ± 0.0016 Å
• α: 90°
• β: 114.5 ± 0.03°
• γ: 90°
• Cell volume: 1492.7 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes