Information card for entry 7059505

Structure parameters

• Chemical name: AMC22
• Formula: C20 H30 Br2 N2 O2
• Calculated formula: C20 H30 Br2 N2 O2
• Title of publication: The effect of vicinal di-halo substituents on the organogelling properties of aromatic supramolecular gelators and their application as soft templates
• Authors of publication: Mac Cormack, Andrea S.; Busch, Verónica M.; Japas, M. Laura; Giovanetti, Lisandro; Di Salvo, Florencia; Di Chenna, Pablo H.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 8198 - 8208
• a: 14.5709 ± 0.0014 Å
• b: 17.1752 ± 0.0012 Å
• c: 8.9783 ± 0.001 Å
• α: 90°
• β: 103.868 ± 0.011°
• γ: 90°
• Cell volume: 2181.4 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No