Information card for entry 2102819

Structure parameters

• Common name: Cyclamic acid
• Chemical name: N-Cyclohexylsulfamic acid
• Formula: C6 H13 N O3 S
• Calculated formula: C6 H13 N O3 S
• SMILES: S(=O)(=O)([O-])[NH2+]C1CCCCC1
• 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: 8.1711 ± 0.001 Å
• b: 10.9972 ± 0.0012 Å
• c: 9.4601 ± 0.0011 Å
• α: 90°
• β: 91.575 ± 0.005°
• γ: 90°
• Cell volume: 849.76 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No