Information card for entry 4325275

Structure parameters

• Formula: C41 H64 N12 O5.25
• Calculated formula: C41 H64 N12 O5.26
• Title of publication: Synthesis and CuII Coordination Chemistry of a Patellamide Derivative: Consequences of the Change from the Natural Thiazole/Oxazoline to the Artificial Imidazole Heterocycles
• Authors of publication: Peter Comba; Nina Dovalil; Graeme R. Hanson; Gerald Linti
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5165 - 5174
• a: 19.861 ± 0.003 Å
• b: 19.861 ± 0.003 Å
• c: 6.9222 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2730.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2646
• Weighted residual factors for all reflections included in the refinement: 0.2868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No