Information card for entry 4311258

Structure parameters

• Formula: C20 H31 N4 O3 Tc
• Calculated formula: C20 H31 N4 O3 Tc
• SMILES: [Tc]123(=O)[N](O)=C(C(N2CC(Cc2ccccc2)CN1C(C(=N3=O)C)(C)C)(C)C)C
• Title of publication: Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)
• Authors of publication: Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4145 - 4153
• a: 7.957 ± 0.002 Å
• b: 11.979 ± 0.002 Å
• c: 22.914 ± 0.005 Å
• α: 90°
• β: 91 ± 0.03°
• γ: 90°
• Cell volume: 2183.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No