Information card for entry 7035065

Structure parameters

• Formula: C46 H53 N O14
• Calculated formula: C46 H53 N O14
• Title of publication: Methylresorcinarene: a reaction vessel to control the coordination geometry of copper(ii) in pyridine N-oxide copper(ii) complexes.
• Authors of publication: Beyeh, Ngong Kodiah; Puttreddy, Rakesh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9881 - 9886
• a: 11.4574 ± 0.0006 Å
• b: 11.5478 ± 0.0006 Å
• c: 17.022 ± 0.0008 Å
• α: 77.408 ± 0.004°
• β: 87.27 ± 0.004°
• γ: 74.49 ± 0.005°
• Cell volume: 2117.8 ± 0.2 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No