Information card for entry 1512366

Structure parameters

• Formula: C47 H58.33 Cu2 N4 O8
• Calculated formula: C46 H56 Cu2 N4 O8
• SMILES: [Cu]1(OC(=O)c2ccccc2)(OC(=O)c2ccccc2)[N]2CCCCC=2CCCC[NH2][Cu](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)[N]2CCCCC=2CCCC[NH2]1
• Title of publication: 1,7-Diazaspiro[5.5]undecane - A Neglected Heterocycle.
• Authors of publication: Cordes, Jens; Murray, Philip R. D.; White, Andrew J. P.; Barrett, Anthony G. M.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 4992 - 4995
• a: 18.68118 ± 0.00013 Å
• b: 18.68118 ± 0.00013 Å
• c: 11.51988 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3481.67 ± 0.04 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No