Information card for entry 7123344

Structure parameters

• Formula: C128 H172 N4 O24 Si4
• Calculated formula: C126.506 H166.024 N4 O22.506 Si4
• Title of publication: Silane catecholates: Versatile tools for self-assembled dynamic covalent bond chemistry
• Authors of publication: Kabe, Yoshio; Kawakami, Yoshiteru; Ogishima, Tsuyoshi; Kawara, Tomoki; Yamauchi, Shota; Okamoto, Kazuhiko; Nikaido, Singo; Souma, Daiki; Jin, Ren-hua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 43.04 ± 0.05 Å
• b: 9.038 ± 0.009 Å
• c: 20.98 ± 0.02 Å
• α: 90°
• β: 114.772 ± 0.014°
• γ: 90°
• Cell volume: 7410 ± 13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.2062
• Residual factor for significantly intense reflections: 0.1748
• Weighted residual factors for significantly intense reflections: 0.4365
• Weighted residual factors for all reflections included in the refinement: 0.4671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.345
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No