Information card for entry 7128705

Structure parameters

• Formula: C57 H64 N3 O4 V
• Calculated formula: C57 H64 N3 O4 V
• SMILES: [V]12(Oc3c(cc(cc3Cc3c(N2c2ccc(cc2)C)c(cc(c3)C(C)(C)C)Cc2c(O1)c(cc(c2)C)C(C)(C)C)C)C(C)(C)C)(C#[N]c1ccc(OC)cc1)C#[N]c1ccc(OC)cc1
• Title of publication: Systematic reductive oligomerization of isocyanides with a vanadium(ii) complex.
• Authors of publication: Hasegawa, Sui; Ishida, Yutaka; Kawaguchi, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 67
• Pages of publication: 8296 - 8299
• a: 12.3804 ± 0.0002 Å
• b: 14.2439 ± 0.0003 Å
• c: 16.395 ± 0.0003 Å
• α: 73.837 ± 0.002°
• β: 70.96 ± 0.002°
• γ: 68.344 ± 0.002°
• Cell volume: 2498.7 ± 0.09 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No