Information card for entry 4123259

Structure parameters

• Formula: C18 H26 N2 O2 Si2
• Calculated formula: C18 H26 N2 O2 Si2
• SMILES: [Si]([Si](c1ccc(N(=O)=O)cc1)(C)C)(c1ccc(N(C)C)cc1)(C)C
• Title of publication: Optical properties of disilane-bridged donor-acceptor architectures: strong effect of substituents on fluorescence and nonlinear optical properties.
• Authors of publication: Shimada, Masaki; Yamanoi, Yoshinori; Matsushita, Tomonori; Kondo, Takashi; Nishibori, Eiji; Hatakeyama, Akari; Sugimoto, Kunihisa; Nishihara, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 3
• Pages of publication: 1024 - 1027
• a: 8.579 ± 0.004 Å
• b: 11.477 ± 0.005 Å
• c: 20.244 ± 0.008 Å
• α: 90°
• β: 93.167 ± 0.006°
• γ: 90°
• Cell volume: 1990.2 ± 1.5 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No