Information card for entry 4339794

Structure parameters

• Formula: C36 H52 Al N O5
• Calculated formula: C36 H52 Al N O5
• SMILES: [Al]123([N](Cc4c(c(C(C)(C)C)cc(C)c4)O1)(Cc1c(c(C(C)(C)C)cc(C)c1)O2)Cc1c(c(C(C)(C)C)cc(C)c1)O3)[OH2].O
• Title of publication: Steric stabilization of a monomeric proalumatrane: experimental and theoretical studies.
• Authors of publication: Su, Weiping; Kobayashi, Junji; Ellern, Arkady; Kawashima, Takayuki; Verkade, John G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 7953 - 7959
• a: 13.702 ± 0.004 Å
• b: 11.208 ± 0.003 Å
• c: 23.007 ± 0.007 Å
• α: 90°
• β: 90.944 ± 0.005°
• γ: 90°
• Cell volume: 3532.8 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No