Information card for entry 2201817

Structure parameters

• Chemical name: (trans-Cinnamaldehyde)tris(2,6-diphenylphenoxy)aluminium
• Formula: C63 H47 Al O4
• Calculated formula: C63 H47 Al O4
• SMILES: [Al](Oc1c(cccc1c1ccccc1)c1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)[O]=CC=Cc1ccccc1
• Title of publication: (<i>trans</i>-Cinnamaldehyde)tris(2,6-diphenylphenoxy)aluminium
• Authors of publication: Clegg, William; Elsegood, Mark R. J.; Snaith, Ronald; Deceased; Wheatley, Andrew E. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m225 - m227
• a: 15.7741 ± 0.001 Å
• b: 15.7741 ± 0.001 Å
• c: 49.394 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10643.7 ± 1.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes