Information card for entry 2218452

Structure parameters

• Chemical name: 4-Aminophenyl naphthalene-1-sulfonate
• Formula: C16 H13 N O3 S
• Calculated formula: C16 H13 N O3 S
• SMILES: c1(ccc(cc1)N)OS(=O)(=O)c1cccc2ccccc12
• Title of publication: 4-Aminophenyl naphthalene-1-sulfonate
• Authors of publication: Vennila, Jasmine P.; Thilagavathi, R.; Kavipriya, R.; Kavitha, Helen P.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1124
• a: 7.0456 ± 0.0003 Å
• b: 12.4789 ± 0.0006 Å
• c: 15.8064 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.72 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1431
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes