Information card for entry 7241027

Structure parameters

• Formula: C24 H46 Br2 N2 O2
• Calculated formula: C24 H46 Br2 N2 O2
• Title of publication: Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 14.0705 ± 0.0002 Å
• b: 14.0407 ± 0.0002 Å
• c: 13.1353 ± 0.0002 Å
• α: 90°
• β: 92.207 ± 0.001°
• γ: 90°
• Cell volume: 2593.08 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0561
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No