Information card for entry 7714891

Structure parameters

• Formula: C40 H47 Ga N2
• Calculated formula: C40 H47 Ga N2
• SMILES: [Ga]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: 8.254 ± 0.004 Å
• b: 14.62 ± 0.006 Å
• c: 14.709 ± 0.007 Å
• α: 89.79 ± 0.02°
• β: 74.07 ± 0.02°
• γ: 87.68 ± 0.02°
• Cell volume: 1705.4 ± 1.4 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: 0.0363
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No