Information card for entry 1550849

Structure parameters

• Formula: C29 H23 Br N2 O2
• Calculated formula: C29 H23 Br N2 O2
• SMILES: Brc1ccc(cc1)C(=C\c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1)\C#N
• Title of publication: Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.
• Authors of publication: Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng
• Journal of publication: Nanoscale
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 17
• Pages of publication: 8597 - 8603
• a: 11.2848 ± 0.0005 Å
• b: 12.4618 ± 0.0005 Å
• c: 17.9846 ± 0.0008 Å
• α: 76.742 ± 0.004°
• β: 78.065 ± 0.004°
• γ: 83.32 ± 0.004°
• Cell volume: 2402.22 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No