Information card for entry 1529299

Structure parameters

• Formula: C43 H68 N6 O9
• Calculated formula: C43 H67 N6 O9
• SMILES: Oc1c(C(=O)[O-])cc(NC(=O)NC(C)(C)c2cccc(c2)C(NC(=O)Nc2ccc(O)c(c2)C(=O)[O-])(C)C)cc1.OCCC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC
• Title of publication: Fluorescent carbon dot‒molecular salt hydrogels
• Authors of publication: Cayuela, Angelina; Kennedy, Stuart R.; Soriano, M. Laura; Jones, Christopher D.; Valcárcel, Miguel; Steed, Jonathan W.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6139
• a: 8.3147 ± 0.0006 Å
• b: 19.2037 ± 0.0013 Å
• c: 14.1567 ± 0.001 Å
• α: 90°
• β: 102.128 ± 0.002°
• γ: 90°
• Cell volume: 2210 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No