Information card for entry 2214558

Structure parameters

• Chemical name: 5,7,13,14-Tetraoxatrispiro[2.2.2.2^9^.2^6^.2^3^]pentadecane
• Formula: C11 H16 O4
• Calculated formula: C11 H16 O4
• SMILES: O1C2(OCC3(C1)CC3)OCC1(CO2)CC1
• Title of publication: 5,7,13,14-Tetraoxatrispiro[2.2.2.2^9^.2^6^.2^3^]pentadecane
• Authors of publication: Betz, Richard; Klüfers, Peter; Reichvilser, Moritz M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3558 - o3558
• a: 6.298 ± 0.0008 Å
• b: 7.152 ± 0.0008 Å
• c: 23.508 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1058.9 ± 0.2 ų
• Cell temperature: 200 ± 3 K
• Ambient diffraction temperature: 200 ± 3 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes