Information card for entry 1505748

Structure parameters

• Formula: C22 H27 Cu N O2
• Calculated formula: C22 H27 Cu N O2
• Title of publication: Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest.
• Authors of publication: Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2006
• Journal volume: 110
• Journal issue: 42
• Pages of publication: 21365 - 21370
• a: 10.3633 ± 0.0007 Å
• b: 14.4094 ± 0.0009 Å
• c: 13.5082 ± 0.0007 Å
• α: 90°
• β: 107.873 ± 0.004°
• γ: 90°
• Cell volume: 1919.8 ± 0.2 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No