Information card for entry 2006072

Structure parameters

• Chemical name: toluenesulfonamide 2(-)-limonene
• Formula: C17 H23 N O2 S
• Calculated formula: C17 H23 N O2 S
• SMILES: S(=O)(=O)(NC1(CCC(=CC1)C)C(=C)C)c1ccc(cc1)C
• Title of publication: (±)-N-[1,8(10)-menthadien-3-yl]toluenesulfonamide
• Journal of publication: Acta Crystallographica C
• Year of publication: 1997
• Journal volume: 53
• Pages of publication: 519 - 521
• a: 10.268 ± 0.001 Å
• b: 13.845 ± 0.002 Å
• c: 11.742 ± 0.002 Å
• α: 90°
• β: 101.73 ± 0.01°
• γ: 90°
• Cell volume: 1634.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections: 0.1401
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.076
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No