Information card for entry 7228700

Structure parameters

• Formula: C43 H35 Cl2 N O6
• Calculated formula: C43 H35 Cl2 N O6
• SMILES: O(C(=O)c1ccc(c2ccc(N(c3ccc(c4ccc(C(=O)OC)cc4)cc3)c3ccc(c4ccc(C(=O)OC)cc4)cc3)cc2)cc1)C.ClCCl
• Title of publication: Moiety effect on the luminescent property of star-shaped triphenylamine (TPA) derivatives as mechanochromic materials
• Authors of publication: Zhang, Ying; Feng, Yao-Qin; Wang, Jun-Hao; Han, Gaoyi; Li, Miao-Yu; Xiao, Yaoming; Feng, Zhen-Dong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 57
• Pages of publication: 35672
• a: 14.3596 ± 0.0006 Å
• b: 10.8125 ± 0.0006 Å
• c: 24.7814 ± 0.0011 Å
• α: 90°
• β: 104.824 ± 0.004°
• γ: 90°
• Cell volume: 3719.6 ± 0.3 ų
• Cell temperature: 287.56 ± 0.1 K
• Ambient diffraction temperature: 287.56 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.1086
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2769
• Weighted residual factors for all reflections included in the refinement: 0.3178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No