Information card for entry 2224931

Structure parameters

• Chemical name: 2-(2-Naphthyl)-1,3-dioxane
• Formula: C14 H14 O2
• Calculated formula: C14 H14 O2
• SMILES: O1C(OCCC1)c1cc2ccccc2cc1
• Title of publication: 2-(2-Naphthyl)-1,3-dioxane
• Authors of publication: Thevenet, Damien; Neier, Reinhard; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o473 - o474
• a: 7.5351 ± 0.0006 Å
• b: 7.8575 ± 0.0008 Å
• c: 9.4057 ± 0.0009 Å
• α: 90°
• β: 92.839 ± 0.011°
• γ: 90°
• Cell volume: 556.2 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes