Information card for entry 4320365

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: A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex
• Authors of publication: Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5316 - 5317
• 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: 153.1 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: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No