Information card for entry 1564684

Structure parameters

• Chemical name: TPMBr
• Formula: C21 H17 Br
• Calculated formula: C21 H17 Br
• SMILES: Brc1ccc(C(=C(\c2ccccc2)C)/c2ccccc2)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: 8.773 ± 0.004 Å
• b: 9.273 ± 0.005 Å
• c: 20.333 ± 0.01 Å
• α: 90°
• β: 90.317 ± 0.008°
• γ: 90°
• Cell volume: 1654.1 ± 1.4 ų
• Cell temperature: 296.15 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: 0.0826
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No