Information card for entry 4312663

Structure parameters

• Formula: C31 H45 N3 O2
• Calculated formula: C31 H45 N3 O2
• SMILES: O=N(=O)C(=CNc1cc(cc(c1)C(C)(C)C)C(C)(C)C)/C=N/c1cc(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes
• Authors of publication: Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8395 - 8405
• a: 13.6374 ± 0.0004 Å
• b: 9.2069 ± 0.0003 Å
• c: 23.8174 ± 0.0009 Å
• α: 90°
• β: 98.942 ± 0.002°
• γ: 90°
• Cell volume: 2954.12 ± 0.17 ų
• Cell temperature: 158.1 K
• Number of distinct elements: 4
• 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: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No