Information card for entry 4318184

Structure parameters

• Common name: 99358aa_Al(trisphenolate)2
• Formula: C54 H71 Al O3
• Calculated formula: C54 H71 Al O3
• Title of publication: Linear Trimer Analogues of Calixarene as Chiral Coordinating Ligands: X-ray Crystallographic and NMR Spectroscopic Characterization of Chiral and Achiral Trisphenolates Complexed to Titanium(IV) and Aluminum(III)
• Authors of publication: William O. Appiah; Angela D. DeGreeff; Gina L. Razidlo; Sarah J. Spessard; Maren Pink; Victor G. Young,; Gretchen E. Hofmeister
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3656 - 3667
• a: 23.311 ± 0.002 Å
• b: 20.25 ± 0.002 Å
• c: 23.093 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10901 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections: 0.2002
• Weighted residual factors for significantly intense reflections: 0.1775
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No