Information card for entry 7003829

Structure parameters

• Formula: C48 H45 N3 O9
• Calculated formula: C48 H45 N3 O9
• SMILES: c1coc(c1)CNC(=O)c1ccccc1OCc1c(c(c(c(c1C)COc1ccccc1C(=O)NCc1ccco1)C)COc1ccccc1C(=O)NCc1ccco1)C
• Title of publication: Tuning the self-assembly and luminescence properties of lanthanide coordination polymers by ligand design
• Authors of publication: Song, Xue-Qin; Liu, Wei-Sheng; Dou, Wei; Zheng, Jiang-Rong; Tang, Xiao-Liang; Zhang, Hong-Rui; Wang, Da-Qi
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3582 - 3591
• a: 8.9278 ± 0.0002 Å
• b: 15.176 ± 0.0004 Å
• c: 31.0232 ± 0.0008 Å
• α: 90°
• β: 95.218 ± 0.001°
• γ: 90°
• Cell volume: 4185.86 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No