Information card for entry 7022252

Structure parameters

• Formula: C17 H18 N2 Zn
• Calculated formula: C17 H18 N2 Zn
• SMILES: [Zn]1(CC)N(c2c3c(ccc4c3c(cc2)ccc4)=[N]1C)C
• 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: 11.6112 ± 0.0005 Å
• b: 10.9964 ± 0.0005 Å
• c: 11.2447 ± 0.0005 Å
• α: 90°
• β: 99.318 ± 0.003°
• γ: 90°
• Cell volume: 1416.79 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0252
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No