Information card for entry 7011815

Structure parameters

• Formula: C24 H38.67 Al1.33 N1.33 O1.33
• Calculated formula: C24 H38.6667 Al1.33333 N1.33333 O1.33333
• SMILES: c1c(ccc(c1)O[Al]([n]1cc(cc(c1)C)C)(C(C)(C)C)C(C)(C)C)O[Al](C(C)(C)C)(C(C)(C)C)[n]1cc(cc(c1)C)C
• Title of publication: 1,4-Dioxobenzene compounds of aluminium
• Authors of publication: van Poppel, Laura H.; Bott, Simon G.; Barron, Andrew R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3327
• a: 10.983 ± 0.002 Å
• b: 13.96 ± 0.003 Å
• c: 12.837 ± 0.003 Å
• α: 90°
• β: 96.85 ± 0.03°
• γ: 90°
• Cell volume: 1954.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1096
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections: 0.2161
• Weighted residual factors for significantly intense reflections: 0.1812
• Goodness-of-fit parameter for all reflections: 0.963
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No