Information card for entry 2001333

Structure parameters

• Chemical name: (dl)-trans-N,N,N-trimethyl-(3-hydroxy-2,2-diphenyl-5-tetrahydrofuryl)- methylammonium iodide
• Formula: C20 H26 I N O2
• Calculated formula: C20 H26 I N O2
• 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: 10.599 ± 0.002 Å
• b: 9.27 ± 0.003 Å
• c: 19.641 ± 0.004 Å
• α: 90°
• β: 96.17 ± 0.01°
• γ: 90°
• Cell volume: 1918.6 ± 0.8 ų
• Cell temperature: 122 K
• Ambient diffraction temperature: 122 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.052
• Goodness-of-fit parameter for significantly intense reflections: 2.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No