Information card for entry 1543772

Structure parameters

• Formula: C40 H34 N4 O2
• Calculated formula: C40 H34 N4 O2
• SMILES: O(C)CCOCCn1c2ccccc2c2c1ccc(c2)/C=C/c1ccc(c2cc(nc(c2)c2ncccc2)c2ncccc2)cc1
• Title of publication: Probe for simultaneous membrane and nucleus labeling in living cells and in vivo bioimaging using a two-photon absorption water-soluble Zn(ii) terpyridine complex with a reduced π-conjugation system.
• Authors of publication: Tian, Xiaohe; Zhang, Qiong; Zhang, Mingzhu; Uvdal, Kajsa; Wang, Qin; Chen, Junyang; Du, Wei; Huang, Bei; Wu, Jieying; Tian, Yupeng
• Journal of publication: Chemical science
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 142 - 149
• a: 5.559 ± 0.005 Å
• b: 11.24 ± 0.005 Å
• c: 13.638 ± 0.005 Å
• α: 75.767 ± 0.005°
• β: 83.93 ± 0.005°
• γ: 81.445 ± 0.005°
• Cell volume: 814.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No