Information card for entry 7004876

Structure parameters

• Formula: C36 H58 N10 O9 S2
• Calculated formula: C36 H58 N10 O9 S2
• Title of publication: Bifunctional chelators for copper radiopharmaceuticals: the synthesis of [Cu(ATSM)-amino acid] and [Cu(ATSM)-octreotide] conjugates.
• Authors of publication: Cowley, Andrew R.; Dilworth, Jonathan R.; Donnelly, Paul S.; Heslop, Julia M.; Ratcliffe, Steven J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 2
• Pages of publication: 209 - 217
• a: 7.7954 ± 0.0002 Å
• b: 12.1336 ± 0.0003 Å
• c: 12.522 ± 0.0003 Å
• α: 68.0679 ± 0.0011°
• β: 88.8912 ± 0.0009°
• γ: 86.7614 ± 0.0011°
• Cell volume: 1096.93 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No