Information card for entry 7204221

Structure parameters

• Formula: C24 H30 N3 O7
• Calculated formula: C24 H30 N3 O7
• SMILES: O=C([O-])c1ccc(cc1)N=Nc1ccc(c(c1)OC)N1CCOCCOCCOCCOCC1
• Title of publication: Novel sodium-selective fluorescent PET and optically based chemosensors: towards Na+ determination in serum
• Authors of publication: Thorfinnur Gunnlaugsson; Mark Nieuwenhuyzen; Ludovic Richard; Vera Thoss
• Journal of publication: J. Chem. Soc., Perkin Trans. 2
• Year of publication: 2002
• Journal issue: 1
• Pages of publication: 141 - 150
• a: 7.211 ± 0.0016 Å
• b: 23.167 ± 0.006 Å
• c: 14.329 ± 0.003 Å
• α: 90°
• β: 97.988 ± 0.009°
• γ: 90°
• Cell volume: 2370.5 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.1808
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No