Information card for entry 4515391

Structure parameters

• Formula: C56 H62 N4 O4 S Si4
• Calculated formula: C54 H62 N4 O4 S Si4
• SMILES: s1nc2c([Si]([Si](C)(c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)C)(C)C)ccc([Si]([Si](c3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)(C)C)(C)C)c2n1
• Title of publication: Aggregation-Induced Emission Enhancement from Disilane-Bridged Donor-Acceptor-Donor Luminogens Based on the Triarylamine Functionality.
• Authors of publication: Usuki, Tsukasa; Shimada, Masaki; Yamanoi, Yoshinori; Ohto, Tatsuhiko; Tada, Hirokazu; Kasai, Hidetaka; Nishibori, Eiji; Nishihara, Hiroshi
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 12164 - 12172
• a: 13.859 ± 0.004 Å
• b: 7.4399 ± 0.0019 Å
• c: 25.933 ± 0.007 Å
• α: 90 ± 0.007°
• β: 97.511 ± 0.008°
• γ: 90 ± 0.008°
• Cell volume: 2651 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.2146
• Residual factor for significantly intense reflections: 0.1783
• Weighted residual factors for significantly intense reflections: 0.4009
• Weighted residual factors for all reflections included in the refinement: 0.4407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.896
• Diffraction radiation wavelength: 0.8 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No