Information card for entry 7238076

Structure parameters

• Formula: C24 H14 O2 S4
• Calculated formula: C24 H14 O2 S4
• Title of publication: Clathrate formation by and self-assembled supramolecular structures of a “molecular spring”
• Authors of publication: Tanaka, Kazuhiko; Osuga, Hideji; Kitahara, Yoshinori
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 2492
• a: 11.4866 ± 0.0009 Å
• b: 11.4866 ± 0.0009 Å
• c: 15.493 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2044.2 ± 0.5 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0515
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No