Information card for entry 2008900

Structure parameters

• Chemical name: 1,4-di-{[m-(1,3-dioxane)benzene]}propane
• Formula: C24 H30 O4
• Calculated formula: C24 H30 O4
• SMILES: C1COC(OC1)c1ccccc1CCCCc1ccccc1C1OCCCO1
• Title of publication: Bis(1,3-dioxan-2-yl)arenes: precursors to linked porphyrins
• Authors of publication: Jene, Paul G.; Ibers, James A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1593 - 1595
• a: 13.979 ± 0.003 Å
• b: 4.689 ± 0.001 Å
• c: 16.239 ± 0.003 Å
• α: 90°
• β: 107.279 ± 0.004°
• γ: 90°
• Cell volume: 1016.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 0.81
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No