Information card for entry 7022250

Structure parameters

• Formula: C36 H36 N2 O3 Zn
• Calculated formula: C36 H36 N2 O3 Zn
• SMILES: O1CCCC1.[Zn]12([N](=C3c4c5c(ccc4O1)cccc5C=C3)C(C)C)[N](=C1c3c4c(ccc3O2)cccc4C=C1)C(C)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: 15.731 ± 0.002 Å
• b: 8.6745 ± 0.0012 Å
• c: 11.5672 ± 0.0016 Å
• α: 90°
• β: 106.024 ± 0.003°
• γ: 90°
• Cell volume: 1517.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No