Information card for entry 2206210

Structure parameters

• Common name: 1,3-Bis(3,5-dimethylphenoxy)propane
• Chemical name: 1,3-Bis(3,5-dimethylphenoxy)propane
• Formula: C19 H24 O2
• Calculated formula: C19 H24 O2
• SMILES: O(c1cc(cc(c1)C)C)CCCOc1cc(cc(c1)C)C
• Title of publication: 1,3-Bis(3,5-dimethylphenoxy)propane
• Authors of publication: Tooke, Duncan M.; Lutz, M.; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2152 - o2154
• a: 8.7906 ± 0.0012 Å
• b: 9.6774 ± 0.0011 Å
• c: 10.7788 ± 0.0012 Å
• α: 82.41 ± 0.009°
• β: 78.47 ± 0.01°
• γ: 63.796 ± 0.009°
• Cell volume: 805.11 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes