Information card for entry 7707699

Structure parameters

• Formula: C23 H25 Al N2 O3
• Calculated formula: C23 H25 Al N2 O3
• SMILES: [Al]123(Oc4c5C(=[N]2CC[N]3=C2c3c(O1)cccc3CC2)CCc5ccc4)OC(C)C
• Title of publication: Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.
• Authors of publication: Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 32
• Pages of publication: 11039 - 11048
• a: 22.8129 ± 0.0008 Å
• b: 15.1936 ± 0.0005 Å
• c: 13.9917 ± 0.0004 Å
• α: 90°
• β: 107.402 ± 0.001°
• γ: 90°
• Cell volume: 4627.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No