Information card for entry 7241028

Structure parameters

• Formula: C20 H38 Br2 N2 O2
• Calculated formula: C20 H38 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: 6.6197 ± 0.0003 Å
• b: 12.7852 ± 0.0006 Å
• c: 13.6584 ± 0.0006 Å
• α: 93.527 ± 0.004°
• β: 96.309 ± 0.004°
• γ: 101.198 ± 0.004°
• Cell volume: 1123.02 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No