Information card for entry 4123759

Structure parameters

• Formula: C26 H14 N2 S3
• Calculated formula: C26 H14 N2 S3
• SMILES: s1c2c(nc1c1ccccc1)c1sc3ccccc3c1c1nc(sc21)c1ccccc1
• Title of publication: Self-Contained Photoacid Generator Triggered by Photocyclization of Triangle Terarylene Backbone.
• Authors of publication: Nakashima, Takuya; Tsuchie, Kenta; Kanazawa, Rui; Li, Ruiji; Iijima, Shunsuke; Galangau, Olivier; Nakagawa, Hisako; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro; Kawai, Tsuyoshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 22
• Pages of publication: 7023 - 7026
• a: 7.1122 ± 0.0009 Å
• b: 24.368 ± 0.003 Å
• c: 11.4583 ± 0.0015 Å
• α: 90°
• β: 90.141 ± 0.004°
• γ: 90°
• Cell volume: 1985.8 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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 significantly intense reflections: 0.236
• Weighted residual factors for all reflections included in the refinement: 0.5826
• Goodness-of-fit parameter for all reflections included in the refinement: 2.406
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No