Information card for entry 3500099

Structure parameters

• Common name: tetraoctadecylammonium bromide
• Chemical name: tetraoctadecylazanium bromide
• Formula: C72 H148 Br N
• Calculated formula: C72 H148 Br N
• Title of publication: tetraoctadecylammonium bromide
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 9.2166 ± 0.0007 Å
• b: 9.386 ± 0.0008 Å
• c: 40.8259 ± 0.0005 Å
• α: 84.677 ± 0.005°
• β: 86.411 ± 0.004°
• γ: 89.304 ± 0.004°
• Cell volume: 3509.5 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No