Information card for entry 8100431

Structure parameters

• Common name: AlQ3
• Formula: C27 H18 Al N3 O3
• Calculated formula: C27 H18 Al N3 O3
• SMILES: [Al]123(Oc4c5[n]1cccc5ccc4)(Oc1c4[n]2cccc4ccc1)Oc1c2[n]3cccc2ccc1
• Title of publication: Refinement of the crystal structure of the δ-modification of tris(8-hydroxyquinoline)aluminum(III), δ-Al(C~9~H~6~NO)~3~, the blue luminescent Alq3
• Authors of publication: Rajeswaran, Manju; Blanton, Thomas N.; Klubek, Kevin P.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 439 - 440
• a: 6.181 ± 0.0012 Å
• b: 13.268 ± 0.003 Å
• c: 14.43 ± 0.003 Å
• α: 66.06 ± 0.03°
• β: 88.56 ± 0.03°
• γ: 84.03 ± 0.03°
• Cell volume: 1075.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No