Information card for entry 7022249

Structure parameters

• Formula: C19 H20 O3 Zn
• Calculated formula: C19 H20 O3 Zn
• SMILES: [Zn]1([O]=c2ccc3c4c2c(O1)ccc4ccc3)([O]1CCCC1)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: 8.8426 ± 0.0017 Å
• b: 8.9066 ± 0.0017 Å
• c: 20.634 ± 0.004 Å
• α: 90.296 ± 0.004°
• β: 91.322 ± 0.003°
• γ: 92.285 ± 0.004°
• Cell volume: 1623.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No