Information card for entry 7114899

Structure parameters

• Formula: C37 H24 S6
• Calculated formula: C37 H27 S6
• Title of publication: Synthesis of novel cage molecules bicapped with tris(2-thienyl)methanes
• Authors of publication: Kurata, Hiroyuki; Nakaminami, Hiromichi; Matsumoto, Kouzou; Kawase, Takeshi; Oda, Masaji
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 529
• a: 10.596 ± 0.003 Å
• b: 15.96 ± 0.002 Å
• c: 9.86 ± 0.001 Å
• α: 92.75 ± 0.01°
• β: 106.4 ± 0.02°
• γ: 88.74 ± 0.02°
• Cell volume: 1597.7 ± 0.5 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No