Information card for entry 4124322

Structure parameters

• Formula: C31 H40 Cu N2 O5
• Calculated formula: C31 H40 Cu N2 O5
• Title of publication: Formation of a Dicopper Platform Based Polyrotaxane Whose "String" and "Bead" Are Constructed from the Same Components.
• Authors of publication: Ju, Huiyeong; Clegg, Jack K.; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 30
• Pages of publication: 9535 - 9538
• a: 15.7816 ± 0.0008 Å
• b: 16.2894 ± 0.0007 Å
• c: 11.9362 ± 0.0006 Å
• α: 90°
• β: 107.029 ± 0.002°
• γ: 90°
• Cell volume: 2933.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0933
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No