Information card for entry 4035713

Structure parameters

• Formula: C24 H18 Br2 N4 O8 S4
• Calculated formula: C24 H18 Br2 N4 O8 S4
• SMILES: Brc1sc2c3sc(Br)cc3CN(S(=O)(=O)c3c(N(=O)=O)cccc3)CCN(S(=O)(=O)c3c(N(=O)=O)cccc3)Cc2c1
• Title of publication: Nosyl (2-Nitrobenzenesulfonyl) Annulation Strategy toward Winding Vine-Shaped Bithiophenes.
• Authors of publication: Ashida, Shiomi; Tanaka, Naoki; Ito, Yukiko; Matsuoka, Mitsuru; Hashimoto, Takayoshi; Okano, Kentaro; Miyazaki, Yuji; Kobayashi, Tohru; Yaita, Tsuyoshi; Mori, Atsunori
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14797 - 14801
• a: 13.885 ± 0.003 Å
• b: 14.002 ± 0.003 Å
• c: 14.446 ± 0.003 Å
• α: 86.624 ± 0.004°
• β: 89.65 ± 0.005°
• γ: 87.08 ± 0.004°
• Cell volume: 2800 ± 1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No