Information card for entry 2005439

Structure parameters

• Formula: C10 H16 N Na O7 S
• Calculated formula: C10 H16 N Na O7 S
• SMILES: c1(cccc2cc(ccc12)S(=O)(=O)[O-])N.[Na+].O.O.O.O
• Title of publication: Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4)
• Authors of publication: Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2476 - 2477
• a: 28.787 ± 0.004 Å
• b: 8.619 ± 0.003 Å
• c: 11.623 ± 0.005 Å
• α: 90°
• β: 95.64 ± 0.02°
• γ: 90°
• Cell volume: 2869.9 ± 1.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No