Information card for entry 2202208

Structure parameters

• Formula: C48 H26 S2
• Calculated formula: C48 H26 S2
• SMILES: c1(c2ccccc2ccc1C#Cc1sc(cc1)C#Cc1ccccc1)c1c2ccccc2ccc1C#Cc1sc(cc1)C#Cc1ccccc1
• Title of publication: (<i>R</i>)-2,2'-Bis{[5-(2-phenylethynyl)thienyl]ethynyl}-1,1'-binaphthyl
• Authors of publication: Löhr, Sandra; Yonemura, Makiko; Orita, Akihiro; Imai, Nobuyuki; Akashi, Haruo; Junzo Otera
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o594 - o595
• a: 12.2484 ± 0.0001 Å
• b: 12.6553 ± 0.0001 Å
• c: 11.5031 ± 0.0009 Å
• α: 90°
• β: 102.407 ± 0.005°
• γ: 90°
• Cell volume: 1741.42 ± 0.14 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes