Information card for entry 7114417

Structure parameters

• Chemical name: Triphenylstannyl 9-triptycyl selenide
• Formula: C38 H28 Se Sn
• Calculated formula: C38 H28 Se Sn
• SMILES: [Sn]([Se]C12c3ccccc3C(c3c1cccc3)c1ccccc21)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: First synthesis and characterization of isolable thioselenenic acid, triptycene-9-thioselenenic acid
• Authors of publication: Ishii, Akihiko; Takahashi, Takeshi; Tawata, Akira; Furukawa, Aki; Oshida, Hideaki; Nakayama, Juzo
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 2810 - 2811
• a: 9.369 ± 0.0004 Å
• b: 24.719 ± 0.001 Å
• c: 13.538 ± 0.0005 Å
• α: 90°
• β: 105.092 ± 0.003°
• γ: 90°
• Cell volume: 3027.2 ± 0.2 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No