Information card for entry 4000347

Structure parameters

• Formula: C18 H37 Cl N2 O
• Calculated formula: C18 H37 Cl N2 O
• SMILES: CCCCCCCCCCCCCCn1cc[n+](c1)C.[Cl-].O
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 5.317 ± 0.003 Å
• b: 7.694 ± 0.005 Å
• c: 24.809 ± 0.015 Å
• α: 92.633 ± 0.01°
• β: 94.194 ± 0.011°
• γ: 101.821 ± 0.011°
• Cell volume: 988.8 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No