Information card for entry 7028382

Structure parameters

• Formula: C36 H40 N6 O3
• Calculated formula: C36 H40 N6 O3
• SMILES: O1c2c(ccc(N(CC)CC)c2)C2(N(NC(=O)CNCc3ncccc3)C(=O)c3c2cccc3)c2ccc(N(CC)CC)cc12
• Title of publication: A rhodamine-based "turn-on" fluorescent probe for Fe3+ in aqueous solution.
• Authors of publication: Ji, Shuangzhi; Meng, Xiangming; Ye, Weipeng; Feng, Yan; Sheng, Hongting; Cai, Yulei; Liu, Jinsong; Zhu, Xiaofan; Guo, Qingxiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1583 - 1588
• a: 12.0273 ± 0.0005 Å
• b: 12.0667 ± 0.0004 Å
• c: 12.6247 ± 0.0004 Å
• α: 100.282 ± 0.003°
• β: 110.275 ± 0.003°
• γ: 102.003 ± 0.003°
• Cell volume: 1617.22 ± 0.11 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1246
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No