Information card for entry 4342956

Structure parameters

• Formula: C27 H31 N3 O5
• Calculated formula: C27 H27 N3 O5
• SMILES: O=c1ccn(cc1)Cc1c(c(c(c(c1C)Cn1ccc(=O)cc1)C)Cn1ccc(=O)cc1)C.O.O
• Title of publication: Linear Dependence of Photoluminescence in Mixed Ln-MOFs for Color Tunability and Barcode Application.
• Authors of publication: Yang, Qing-Yuan; Pan, Mei; Wei, Shi-Chao; Li, Kang; Du, Bin-Bin; Su, Cheng-Yong
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5707 - 5716
• a: 12.2234 ± 0.0011 Å
• b: 14.633 ± 0.0012 Å
• c: 13.0904 ± 0.0011 Å
• α: 90°
• β: 92.075 ± 0.008°
• γ: 90°
• Cell volume: 2339.9 ± 0.3 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: 0.0801
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No