Information card for entry 2004298

Structure parameters

• Common name: [15]aneS2O3
• Chemical name: 1,4,7-trioxa-10,13-dithiacyclopentdecane
• Formula: C10 H20 O3 S2
• Calculated formula: C10 H20 O3 S2
• SMILES: S1CCSCCOCCOCCOCC1
• Title of publication: Redetermination of the Structures of 1,4,7-Trioxa-10,13-dithiacyclopentadecane and 1,4,7,10-Tetraoxa-13,16-dithiacyclooctadecane
• Authors of publication: Blake, A. J.; Radek, C.; Schröder, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2668 - 2671
• a: 7.213 ± 0.002 Å
• b: 9.102 ± 0.003 Å
• c: 10.08 ± 0.004 Å
• α: 80.49 ± 0.03°
• β: 86.85 ± 0.03°
• γ: 74.32 ± 0.02°
• Cell volume: 628.4 ± 0.4 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for all reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.0622
• Goodness-of-fit parameter for all reflections: 1.037
• Goodness-of-fit parameter for significantly intense reflections: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No