Information card for entry 4000422

Structure parameters

• Common name: guanidinium hexadecylbenzenesulfonate
• Formula: C23 H43 N3 O3 S
• Calculated formula: C23 H43 N3 O3 S
• SMILES: NC(=[NH2+])N.CCCCCCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 7.9138 ± 0.0003 Å
• b: 10.1427 ± 0.0004 Å
• c: 63.907 ± 0.002 Å
• α: 90°
• β: 90.032 ± 0.002°
• γ: 90°
• Cell volume: 5129.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1101
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No