Information card for entry 7015242

Structure parameters

• Formula: C26 H20 N4 O2
• Calculated formula: C26 H20 N4 O2
• SMILES: C1(=O)c2c(cccc2NCc2cnccc2)C(=O)c2c1cccc2NCc1cnccc1
• Title of publication: Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes.
• Authors of publication: Jones, Jennifer E.; Kariuki, Benson M.; Ward, Benjamin D.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3498 - 3509
• a: 5.0343 ± 0.0007 Å
• b: 10.0324 ± 0.0009 Å
• c: 19.408 ± 0.002 Å
• α: 90°
• β: 89.978 ± 0.005°
• γ: 90°
• Cell volume: 980.22 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1414
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No