Information card for entry 7238077

Structure parameters

• Formula: C25 H16 Cl O2 S4
• Calculated formula: C25 H16 Cl 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: 8.612 ± 0.002 Å
• b: 29.042 ± 0.003 Å
• c: 18.387 ± 0.003 Å
• α: 90°
• β: 101.77 ± 0.02°
• γ: 90°
• Cell volume: 4502.1 ± 1.4 ų
• Cell temperature: 299.2 K
• Ambient diffraction temperature: 299.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.0472
• Goodness-of-fit parameter for significantly intense reflections: 2.78
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No