Information card for entry 2008901

Structure parameters

• Chemical name: 1,2-di-(1,3 dioxane)benzene
• Formula: C14 H18 O4
• Calculated formula: C14 H18 O4
• SMILES: O1C(OCCC1)c1c(cccc1)C1OCCCO1
• 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: 26.064 ± 0.005 Å
• b: 8.696 ± 0.002 Å
• c: 11.943 ± 0.002 Å
• α: 90°
• β: 103.604 ± 0.004°
• γ: 90°
• Cell volume: 2631 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No