Information card for entry 2224037

Structure parameters

• Chemical name: 7,11,18,21-Tetraoxatrispiro[5.2.2.5.2.2]heneicosane
• Formula: C17 H28 O4
• Calculated formula: C17 H28 O4
• SMILES: C1CCC2(CC1)OCC1(CO2)COC2(OC1)CCCCC2
• Title of publication: 7,11,18,21-Tetraoxatrispiro[5.2.2.5.2.2]heneicosane
• Authors of publication: Shi, Jiang-Hua; Yuan, Xian-You; Zhang, Min; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2712
• a: 11.1256 ± 0.0005 Å
• b: 13.9106 ± 0.0007 Å
• c: 11.65 ± 0.0006 Å
• α: 90°
• β: 118.002 ± 0.001°
• γ: 90°
• Cell volume: 1591.92 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.044
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes