Information card for entry 4123260

Structure parameters

• Formula: C38 H52 N4 Si4
• Calculated formula: C38 H52 N4 Si4
• 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: 7.2051 ± 0.0003 Å
• b: 23.8974 ± 0.0013 Å
• c: 11.7957 ± 0.0007 Å
• α: 90°
• β: 92.966 ± 0.007°
• γ: 90°
• Cell volume: 2028.3 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.1677
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 0.549
• Diffraction radiation wavelength: 0.4131 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No