Information card for entry 7026695

Structure parameters

• Formula: C31 H30 N4 O3
• Calculated formula: C31 H30 N4 O3
• SMILES: C12(c3c(cc(c(c3)C)NCC)Oc3cc(c(cc13)C)NCC)c1c(C(=O)N2/N=C/c2ccco2)cccc1
• Title of publication: A new rhodamine-based chemosensor for Cu2+ and the study of its behaviour in living cells.
• Authors of publication: Huang, Liang; Wang, Xiao; Xie, Guoqiang; Xi, Pinxian; Li, Zhengpeng; Xu, Min; Wu, Yongjie; Bai, Decheng; Zeng, Zhengzhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7894 - 7896
• a: 9.5265 ± 0.0006 Å
• b: 11.3885 ± 0.0007 Å
• c: 12.5521 ± 0.0007 Å
• α: 91.311 ± 0.003°
• β: 109.506 ± 0.003°
• γ: 94.149 ± 0.003°
• Cell volume: 1278.68 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No