Information card for entry 2224607

Structure parameters

• Chemical name: (<i>S</i>)-5-(<i>l</i>-Menthyloxy)-5-[(2<i>R</i>,3<i>R</i>)-2-(<i>l</i>- menthyloxy)-5- oxotetrahydrofuran-3-yl]furan-2(5<i>H</i>)-one
• Formula: C28 H44 O6
• Calculated formula: C28 H44 O6
• SMILES: C1(=O)C=C[C@@]([C@@H]2CC(=O)O[C@H]2O[C@H]2[C@@H](CC[C@H](C2)C)C(C)C)(O1)O[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: (<i>S</i>)-5-(<i>l</i>-Menthyloxy)-5-[(2<i>R</i>,3<i>R</i>)-2-(<i>l</i>-menthyloxy)-5-oxotetrahydrofuran-3-yl]furan-2(5<i>H</i>)-one
• Authors of publication: Zhang, Bing-Bing; Fu, Yu-Qin; Tao, Jing-Chao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o202
• a: 12.3443 ± 0.0015 Å
• b: 9.3455 ± 0.0011 Å
• c: 12.5044 ± 0.0015 Å
• α: 90°
• β: 92.99 ± 0.002°
• γ: 90°
• Cell volume: 1440.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes