Information card for entry 1564687

Structure parameters

• Formula: C21 H16 Br2
• Calculated formula: C21 H16 Br2
• SMILES: Brc1ccc(cc1)C(=C(c1ccccc1)C)c1ccc(Br)cc1
• Title of publication: Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.
• Authors of publication: Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen
• Journal of publication: Materials horizons
• Year of publication: 2022
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 368 - 375
• a: 12.88 ± 0.009 Å
• b: 8.745 ± 0.006 Å
• c: 18.874 ± 0.01 Å
• α: 90°
• β: 121.39 ± 0.03°
• γ: 90°
• Cell volume: 1815 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.2159
• Residual factor for significantly intense reflections: 0.1325
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No