Information card for entry 7204222

Structure parameters

• Formula: C23 H30 N4 O7
• Calculated formula: C22.996 H30 N4 O7
• 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: 14.161 ± 0.005 Å
• b: 7.521 ± 0.003 Å
• c: 22.967 ± 0.009 Å
• α: 90°
• β: 105.703 ± 0.008°
• γ: 90°
• Cell volume: 2354.8 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No