Information card for entry 7223911

Structure parameters

• Common name: M4_Acetone
• Formula: C26 H23 B F4 N2 O3
• Calculated formula: C26 H23 B F4 N2 O3
• SMILES: [B](F)(F)(F)[F-].c1(c2cc(c(c(c2)OC)OC)OC)n2Cc3ccccc3c2c2c3ccccc3C[n+]12
• Title of publication: Fused π-Conjugated Imidazolium Liquid Crystals: Synthesis, Self-Organization, and Fluorescent Properties
• Authors of publication: Takagi, Koji; Yamauchi, Koji; Kubota, Seiko; Nagano, Shusaku; Hara, Mitsuo; Seki, Takahiro; Murakami, Kazuya; Ooyama, Yousuke; Ohshita, Joji; Kondo, Masaharu; Masu, Hyuma
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.5531 ± 0.0002 Å
• b: 12.7129 ± 0.0002 Å
• c: 15.2681 ± 0.0002 Å
• α: 90°
• β: 111.566 ± 0.0007°
• γ: 90°
• Cell volume: 2266 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No