Information card for entry 2200692

Structure parameters

• Chemical name: 2-Hydroxy-2-[5-(1-hydroxy-1-methyl-ethyl)-tetrahydro-furan-2-yl]-1-phenyl- ethanone
• Formula: C15 H20 O4
• Calculated formula: C15 H20 O4
• SMILES: c1(ccccc1)C(=O)[C@@H]([C@@H]1CC[C@H](C(C)(C)O)O1)O
• Title of publication: (2<i>S</i>*)-2-Hydroxy-2-[(2<i>S</i>*,5<i>R</i>*)-5-(1-hydroxy-1-methylethyl)tetrahydrofuran-2-yl]-1-phenylethanone
• Authors of publication: Light, Mark E.; Hursthouse, Michael B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: o1194 - o1195
• a: 7.5556 ± 0.0003 Å
• b: 8.0446 ± 0.0003 Å
• c: 22.9549 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1395.24 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes