Information card for entry 1520674

Structure parameters

• Formula: C28 H33 N3 Na O10 Re S
• Calculated formula: C28 H33 N3 Na O10 Re S
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[N](CC(=O)O1)(CC(=O)O2)CCCCCCOc1ccc2c(c1)sc(c1ccc(cc1)N(C)C)n2.[Na+].O.O
• Title of publication: (99m)Tc(CO)3-Labeled Benzothiazole Derivatives Preferentially Bind Cerebrovascular Amyloid: Potential Use as Imaging Agents for Cerebral Amyloid Angiopathy.
• Authors of publication: Jia, Jianhua; Cui, Mengchao; Dai, Jiapei; Liu, Boli
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2015
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2937 - 2946
• a: 31.609 ± 0.003 Å
• b: 10.4939 ± 0.0011 Å
• c: 9.2829 ± 0.001 Å
• α: 90°
• β: 96.146 ± 0.002°
• γ: 90°
• Cell volume: 3061.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.051
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No