Information card for entry 2216033

Structure parameters

• Chemical name: meso-2-Methyl-5-[2-(4-methylfuran-2-yl)-1,2-bis(prop-2-ynyloxy)ethyl]furan
• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: C#CCO[C@H]([C@@H](c1ccc(o1)C)OCC#C)c1ccc(o1)C
• Title of publication: <i>meso</i>-2-Methyl-5-[2-(4-methylfuran-2-yl)-1,2-bis(prop-2-ynyloxy)ethyl]furan
• Authors of publication: Frey, Wolfgang; Wölfle, Michael; Hashmi, A. Stephen K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4272 - o4272
• a: 7.945 ± 0.004 Å
• b: 9.215 ± 0.005 Å
• c: 11.408 ± 0.005 Å
• α: 90°
• β: 107.17 ± 0.04°
• γ: 90°
• Cell volume: 798 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes