Information card for entry 7217094

Structure parameters

• Formula: C21 H15 Al O6
• Calculated formula: C21 H15 Al O6
• SMILES: [Al]123(Oc4ccccc4C=[O]1)(Oc1ccccc1C=[O]2)[O]=Cc1c(O3)cccc1
• Title of publication: Sol‒gel synthesis of highly pure α-Al2O3nano-rods from a new class of precursors of salicylaldehyde-modified aluminum(iii) isopropoxide. Crystal and molecular structure of [Al(OC6H4CHO)3]
• Authors of publication: Sanwaria, Anita Raj; Nagar, Meena; Bohra, Rakesh; Chaudhary, Archana; Mobin, Shaikh M.; Mathur, Pradeep; Choudhary, Banwari L.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 57
• Pages of publication: 30081
• a: 9.5167 ± 0.0005 Å
• b: 9.9644 ± 0.0003 Å
• c: 19.0736 ± 0.0007 Å
• α: 90°
• β: 100.406 ± 0.004°
• γ: 90°
• Cell volume: 1778.97 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No