Information card for entry 2102820

Structure parameters

• Common name: Sodium cyclamate
• Chemical name: Sodium N-cyclohexylsulfamate
• Formula: C6 H12 N Na O3 S
• Calculated formula: C6 H12 N Na O3 S
• SMILES: [Na+].S(=O)(=O)([O-])NC1CCCCC1
• Title of publication: Structures of artificial sweeteners ‒ cyclamic acid and sodium cyclamate with other cyclamates
• Authors of publication: Leban, Ivan; Rudan-Tasic, Darja; Lah, Nina; Klofutar, Cveto
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 418 - 425
• a: 31.083 ± 0.006 Å
• b: 6.2718 ± 0.0014 Å
• c: 8.5682 ± 0.0017 Å
• α: 90°
• β: 94.481 ± 0.01°
• γ: 90°
• Cell volume: 1665.2 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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 all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No