Information card for entry 7238078

Structure parameters

• Formula: C43 H42 O4 S4
• Calculated formula: C43 H36 O4 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: 9.724 ± 0.001 Å
• b: 17.123 ± 0.002 Å
• c: 11.515 ± 0.001 Å
• α: 90°
• β: 103.278 ± 0.009°
• γ: 90°
• Cell volume: 1866 ± 0.3 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0678
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No