Information card for entry 2015233

Structure parameters

• Common name: [3,4-b][3',4'-l]-dithieno-1,4,11,14-tetraoxacycloeicosane
• Chemical name: 1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa- 9,12,21,24-tetraene
• Formula: C20 H28 O4 S2
• Calculated formula: C20 H28 O4 S2
• SMILES: C1CCCOc2cscc2OCCCCCCOc2c(OCC1)csc2
• Title of publication: 1,8,14,20-Tetraoxa-11,23-dithiatricyclo[21.3.0.0^9,13^]hexacosa-9,12,21,24-tetraene
• Authors of publication: Wagner, Paweł; Łapkowski, Mieczysław; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o155 - o156
• a: 9.595 ± 0.002 Å
• b: 8.267 ± 0.002 Å
• c: 26.35 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2090.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes