Information card for entry 4069644

Structure parameters

• Formula: C25 H30 Al O P
• Calculated formula: C25 H30 Al O P
• SMILES: [P]1([Al](Oc2c1cc(C)cc2C(C)(C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Structure of Neutral and Cationic Aluminum Complexes Supported by BidentateO,P-Phosphinophenolate Ligands and Their Reactivity with Propylene Oxide and ε-Caprolactone
• Authors of publication: Haddad, Mansour; Laghzaoui, Mohamed; Welter, Richard; Dagorne, Samuel
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4584
• a: 15.003 ± 0.001 Å
• b: 9.927 ± 0.002 Å
• c: 16.5 ± 0.002 Å
• α: 90°
• β: 109.49 ± 0.05°
• γ: 90°
• Cell volume: 2316.6 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1515
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No