Information card for entry 1515753

Structure parameters

• Formula: C21 H39 N O2
• Calculated formula: C21 H39 N O2
• SMILES: O=c1ccn(cc1)CCCCCCCCCCCCCCCC.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: 20.7504 ± 0.0008 Å
• b: 7.9455 ± 0.0003 Å
• c: 13.4383 ± 0.0004 Å
• α: 90°
• β: 100.245 ± 0.002°
• γ: 90°
• Cell volume: 2180.28 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1555
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No