Information card for entry 2004247

Structure parameters

• Chemical name: 3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5,8,5,8] octacosane OR 5,5-Dimethyl-1,3-dioxacyclohexan-2-spiro-1'-cyclooctadecan- 10'-spiro-2"-5",5"-dimethyl-1",3"-dioxacyclohexane OR Dispiro[5,5-dimethyl-1,3-dioxacyclohexane-2,1'-cyclooctadecan- 10',2"-5",5"-dimethyl-1",3"-dioxacyclohexane]
• Formula: C28 H52 O4
• Calculated formula: C28 H52 O4
• SMILES: CC1(C)COC2(OC1)CCCCCCCCC1(CCCCCCCC2)OCC(CO1)(C)C
• Title of publication: 3,3,18,18-Tetramethyl-1,5,16,20-tetraoxadispiro[5.8.5.8]octacosane
• Authors of publication: Lewis, T. J.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2688 - 2690
• a: 10.718 ± 0.001 Å
• b: 13.05 ± 0.001 Å
• c: 5.5074 ± 0.0004 Å
• α: 90.27 ± 0.01°
• β: 104.32 ± 0.01°
• γ: 109.86 ± 0.01°
• Cell volume: 698.66 ± 0.12 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 2.9
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No