Information card for entry 2023248

Structure parameters

• Chemical name: Tris[(6-bromopyridin-2-yl)methyl]amine
• Formula: C18 H15 Br3 N4
• Calculated formula: C18 H15 Br3 N4
• Title of publication: Molecular structure of tris[(6-bromopyridin-2-yl)methyl]amine
• Authors of publication: Yan, Ran; Dai, Zhaohua; Shlian, Daniel G.; Mitchell, Trinit'y D.; Loo, Aaron; Mulosmani, Kaltrina; Upmacis, Rita K.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 10
• a: 6.2445 ± 0.0008 Å
• b: 13.2335 ± 0.0016 Å
• c: 13.4984 ± 0.0016 Å
• α: 79.168 ± 0.002°
• β: 88.671 ± 0.002°
• γ: 78.962 ± 0.002°
• Cell volume: 1075.2 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0884
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No