Information card for entry 4106798

Structure parameters

• Chemical name: 18-(pentylamino)octadecan-7-ol
• Formula: C23 H49 N O
• Calculated formula: C23 H48 N O
• SMILES: O[C@@H](CCCCCCCCCCCNCCCCC)CCCCCC
• Title of publication: Reversible Phase Transitions within Self-Assembled Fibrillar Networks of (R)-18-(n-Alkylamino)octadecan-7-ols in Their Carbon Tetrachloride Gels
• Authors of publication: V. Ajay Mallia; Paul D. Butler; Bijay Sarkar; K. Travis Holman; Richard G. Weiss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15045 - 15054
• a: 64.17 ± 0.04 Å
• b: 4.975 ± 0.003 Å
• c: 7.285 ± 0.004 Å
• α: 90°
• β: 94.782 ± 0.007°
• γ: 90°
• Cell volume: 2318 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1579
• Residual factor for significantly intense reflections: 0.1203
• Weighted residual factors for significantly intense reflections: 0.356
• Weighted residual factors for all reflections included in the refinement: 0.3765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No