Information card for entry 4000463

Structure parameters

• Formula: C16 H33 Cl N2 O
• Calculated formula: C16 H33 Cl N2 O
• SMILES: CCCCCCCCCCCC[n+]1ccn(c1)C.[Cl-].O
• Journal of publication: Chemistry of Materials
• Year of publication: 2004
• a: 5.345 ± 0.006 Å
• b: 7.722 ± 0.008 Å
• c: 22.828 ± 0.017 Å
• α: 84.24 ± 0.08°
• β: 84.18 ± 0.08°
• γ: 78.44 ± 0.1°
• Cell volume: 915.3 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.2407
• Residual factor for significantly intense reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.4089
• Weighted residual factors for all reflections included in the refinement: 0.4368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No