Information card for entry 1515752

Structure parameters

• Formula: C21 H38 Cl N O
• Calculated formula: C21 H38 Cl N O2
• SMILES: [Cl-].C(CCCCCCCCCCCCCCC)[n+]1ccc(cc1)O.O
• Title of publication: Ionic liquid crystals derived from 4-hydroxypyridine
• Authors of publication: Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.
• Journal of publication: Soft Matter
• Year of publication: 2011
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 3491
• a: 5.0633 ± 0.0002 Å
• b: 7.8476 ± 0.0003 Å
• c: 28.8648 ± 0.0009 Å
• α: 92.227 ± 0.002°
• β: 93.436 ± 0.002°
• γ: 102.045 ± 0.002°
• Cell volume: 1118.12 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0983
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No