Information card for entry 2006012

Structure parameters

• Common name: fluorescein sodium
• Chemical name: sodium 2-(3-oxo-sodioxy-3H-xanthen-9-yl)benzoate
• Formula: C20 H26 Na2 O13
• Calculated formula: C20 H26 Na2 O13
• SMILES: [Na+].[Na+].O1c2cc(=O)ccc2=C(c2ccc([O-])cc12)c1ccccc1C(=O)[O-].O.O.O.O.O.O.O.O
• Title of publication: Disodium Fluorescein Octahydrate
• Authors of publication: Yamaguchi, K.; Tamura, Z.; Maeda, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 284 - 285
• a: 13.636 ± 0.002 Å
• b: 12.597 ± 0.002 Å
• c: 13.794 ± 0.001 Å
• α: 90°
• β: 97.875 ± 0.009°
• γ: 90°
• Cell volume: 2347.1 ± 0.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.0777
• Goodness-of-fit parameter for significantly intense reflections: 2.114
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No