Information card for entry 4303311

Structure parameters

• Formula: C56 H81 N O3
• Calculated formula: C56 H81 N O3
• SMILES: Oc1c(Cc2c(c(c(c(c2C)Cc2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)C)Cc2c(O)c(cc(c2)C(C)(C)C)C(C)(C)C)C)cc(cc1C(C)(C)C)C(C)(C)C.N#CC
• Title of publication: A New Tripodal Ligand System with Steric and Electronic Modularity for Uranium Coordination Chemistry
• Authors of publication: Suzanne C. Bart; Frank W. Heinemann; Christian Anthon; Christina Hauser; Karsten Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9419 - 9426
• a: 11.7954 ± 0.0004 Å
• b: 14.2154 ± 0.0009 Å
• c: 17.2602 ± 0.0015 Å
• α: 93.168 ± 0.005°
• β: 104.788 ± 0.004°
• γ: 111.5 ± 0.004°
• Cell volume: 2567.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No