Information card for entry 7004027

Structure parameters

• Formula: C36 H38 N9 O3
• Calculated formula: C36 H38 N9 O3
• Title of publication: A copper complex bearing a TEMPO moiety as catalyst for the aerobic oxidation of primary alcohols
• Authors of publication: Lu, Zhengliang; Costa, José Sánchez; Roubeau, Olivier; Mutikainen, Ilpo; Turpeinen, Urho; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 27
• Pages of publication: 3567 - 3573
• a: 9.468 ± 0.0019 Å
• b: 12.639 ± 0.003 Å
• c: 15.721 ± 0.003 Å
• α: 106.96 ± 0.03°
• β: 95.71 ± 0.03°
• γ: 107.34 ± 0.03°
• Cell volume: 1681.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1285
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1714
• 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