Information card for entry 4081818

Structure parameters

• Formula: C59 H48 Al2 N4 O6 Si
• Calculated formula: C59 H48 Al2 N4 O6 Si
• SMILES: [Si]1(O[Al]23(Oc4cccc5ccc([n]2c45)C)Oc2cccc4ccc([n]3c24)C)(O[Al]23(Oc4cccc5ccc([n]2c45)C)Oc2cccc4ccc([n]3c24)C)c2ccccc2c2ccccc12.Cc1ccccc1
• Title of publication: Synthesis and Photophysical Properties of Two Strongly Fluorescent Bis(diquinaldinatoalumino)-9-silafluorenes
• Authors of publication: Pusztai, Erika; Albright, Haley; Cai, Yuanjing; Hu, Rongrong; West, Robert; Tang, Ben Zhong; Guzei, Ilia A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 6871
• a: 10.088 ± 0.004 Å
• b: 14.811 ± 0.007 Å
• c: 18.21 ± 0.007 Å
• α: 72.641 ± 0.011°
• β: 87.604 ± 0.017°
• γ: 71.992 ± 0.013°
• Cell volume: 2465.9 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.09 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No