Information card for entry 7155158

Structure parameters

• Formula: C30 H39 N5 S Si
• Calculated formula: C30 H39 N5 S Si
• SMILES: S=C1N(N)C2(c3c(N1)cccc3)c1c([Si](c3c2ccc(N(CC)CC)c3)(C)C)cc(N(CC)CC)cc1
• Title of publication: A six-membered-ring incorporated Si-rhodamine for imaging of copper(ii) in lysosomes.
• Authors of publication: Wang, Baogang; Cui, Xiaoyan; Zhang, Zhiqiang; Chai, Xiaoyun; Ding, Hao; Wu, Qiuye; Guo, Zhongwu; Wang, Ting
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 6720 - 6728
• a: 11.709 ± 0.006 Å
• b: 17.325 ± 0.01 Å
• c: 17.761 ± 0.01 Å
• α: 105.979 ± 0.008°
• β: 103.227 ± 0.009°
• γ: 99.347 ± 0.009°
• Cell volume: 3273 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1954
• Residual factor for significantly intense reflections: 0.153
• Weighted residual factors for significantly intense reflections: 0.3885
• Weighted residual factors for all reflections included in the refinement: 0.428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.475
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No