Information card for entry 4129881

Structure parameters

• Chemical name: 6,13-bis[carbo(3-hydroxypropoxy)]-1,4,8,11-tetraazacyclotetradeca-4,6,11,13-tetraenato(2-)-k4N(1,4,8,11)copper(II)
• Formula: C18 H30 Cu N4 O8
• Calculated formula: C18 H30 Cu N4 O8
• Title of publication: Macrocyclic Metal Complex-DNA Conjugates for Electrochemical Sensing of Single Nucleobase Changes in DNA.
• Authors of publication: Duprey, Jean-Louis H A; Carr-Smith, James; Horswell, Sarah L.; Kowalski, Jarosław; Tucker, James H. R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 746 - 749
• a: 4.8526 ± 0.0001 Å
• b: 26.9297 ± 0.0005 Å
• c: 8.2964 ± 0.0001 Å
• α: 90°
• β: 95.471 ± 0.001°
• γ: 90°
• Cell volume: 1079.23 ± 0.03 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No