Information card for entry 7022253

Structure parameters

• Formula: C21 H26 N2 Zn
• Calculated formula: C21 H26 N2 Zn
• SMILES: [Zn]1(N(c2ccc3c4c(ccc3)ccc(=[N]1C(C)C)c24)C(C)C)CC
• Title of publication: Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters.
• Authors of publication: Sen, Tamal K.; Mukherjee, Arup; Modak, Arghya; Mandal, Swadhin K.; Koley, Debasis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1893 - 1904
• a: 8.8105 ± 0.0008 Å
• b: 13.5563 ± 0.0009 Å
• c: 15.6938 ± 0.0014 Å
• α: 74.278 ± 0.002°
• β: 83.941 ± 0.001°
• γ: 89.588 ± 0.002°
• Cell volume: 1793.8 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0524
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No