Information card for entry 4312662

Structure parameters

• Formula: C21 H25 N3 O2
• Calculated formula: C21 H25 N3 O2
• SMILES: O=N(=O)C(=CNc1c(cc(cc1C)C)C)/C=N/c1c(cc(cc1C)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: 8.954 ± 0.002 Å
• b: 14.536 ± 0.004 Å
• c: 8.22 ± 0.002 Å
• α: 105.55 ± 0.01°
• β: 109.61 ± 0.01°
• γ: 77.7 ± 0.02°
• Cell volume: 962 ± 0.4 ų
• Cell temperature: 158.1 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 significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No