Information card for entry 2001332

Structure parameters

• Chemical name: (dl)-trans-3-Hydroxy-5-iodomethyl-2,2-diphenyl-tetrahydrofuran
• Formula: C17 H17 I O2
• Calculated formula: C17 H17 I O2
• SMILES: IC[C@@H]1C[C@H](C(c2ccccc2)(c2ccccc2)O1)O.IC[C@H]1C[C@@H](C(c2ccccc2)(c2ccccc2)O1)O
• Title of publication: Structure determinations of (<i>dl</i>)-<i>trans</i>-3-hydroxy-5-iodomethyl-2,2-diphenyltetrahydrofuran and (<i>dl</i>)-<i>trans</i>-<i>N</i>,<i>N</i>,<i>N</i>-trimethyl-(3-hydroxy-2,2-diphenyltetrahydro-5-furyl)methylammonium iodide
• Authors of publication: Frydenvang, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1837 - 1840
• a: 12.764 ± 0.002 Å
• b: 5.768 ± 0.002 Å
• c: 20.129 ± 0.005 Å
• α: 90°
• β: 96.18 ± 0.02°
• γ: 90°
• Cell volume: 1473.3 ± 0.7 ų
• Cell temperature: 122 K
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 1.305
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No