Information card for entry 7022254

Structure parameters

• Formula: C27 H34 N2 Zn
• Calculated formula: C27 H34 N2 Zn
• SMILES: [Zn]1(N(c2c3c(=[N]1C1CCCCC1)ccc1cccc(cc2)c31)C1CCCCC1)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: 10.008 ± 0.002 Å
• b: 12.724 ± 0.003 Å
• c: 17.615 ± 0.004 Å
• α: 90°
• β: 105.05 ± 0.004°
• γ: 90°
• Cell volume: 2166.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No