Information card for entry 7711082

Structure parameters

• Chemical name: LG
• Formula: C15 H10 N2 O2
• Calculated formula: C15 H10 N2 O2
• SMILES: OC(=O)c1c2c(nc(c1)c1ncccc1)cccc2
• Title of publication: Sterically demanding pyridine-quinoline anchoring ligands as building blocks for copper(I)-based dye-sensitized solar cells (DSSCs) complexes
• Authors of publication: Peppas, Anastassios; Sokalis, Demetrios; Perganti, Dorothea; Schnakenburg, Gregor; Falaras, Polycarpos; Philippopoulos, athanassios
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 15.6978 ± 0.0008 Å
• b: 3.7082 ± 0.0001 Å
• c: 19.3323 ± 0.001 Å
• α: 90°
• β: 100.429 ± 0.002°
• γ: 90°
• Cell volume: 1106.75 ± 0.09 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1222
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No