Information card for entry 7714894

Structure parameters

• Formula: C40 H47 Al N2
• Calculated formula: C40 H47 Al N2
• SMILES: [Al]1([n]2c(ccc2=C(c2n1c(cc2)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(CC)CC
• Title of publication: Easy access to strongly fluorescent higher homologues of BODIPY.
• Authors of publication: Erlemeier, Lukas; Müller, Marius J; Stuhrmann, Gina; Dunaj, Tobias; Werncke, Gunnar; Chatterjee, Sangam; von Hänisch, Carsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 887 - 893
• a: 8.259 ± 0.003 Å
• b: 14.61 ± 0.006 Å
• c: 14.774 ± 0.006 Å
• α: 89.1 ± 0.03°
• β: 73.44 ± 0.03°
• γ: 87.79 ± 0.03°
• Cell volume: 1707.5 ± 1.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1487
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No