Information card for entry 1504179

Structure parameters

• Formula: C28 H27 Cl Cu0.5 N9 O2
• Calculated formula: C28 H27 Cl Cu0.5 N9 O2
• Title of publication: A highly active catalyst for Huisgen 1,3-dipolar cycloadditions based on the tris(triazolyl)methanol-Cu(I) structure.
• Authors of publication: Ozçubukçu, Salih; Ozkal, Erhan; Jimeno, Ciril; Pericàs, Miquel A
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 4680 - 4683
• a: 9.6706 ± 0.0004 Å
• b: 11.7736 ± 0.0005 Å
• c: 12.4516 ± 0.0005 Å
• α: 80.677 ± 0.002°
• β: 81.72 ± 0.002°
• γ: 81.309 ± 0.002°
• Cell volume: 1372.5 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No