Information card for entry 7123345

Structure parameters

• Formula: C80 H101 N2 O17.5 S7 Si2
• Calculated formula: C78.024 H90.072 N2 O19.133 S6.012 Si2
• 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: 15.993 ± 0.007 Å
• b: 21.486 ± 0.009 Å
• c: 27.205 ± 0.011 Å
• α: 90°
• β: 107.14 ± 0.02°
• γ: 90°
• Cell volume: 8933 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.2191
• Residual factor for significantly intense reflections: 0.1894
• Weighted residual factors for significantly intense reflections: 0.4934
• Weighted residual factors for all reflections included in the refinement: 0.5169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.784
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No