Information card for entry 7245031

Structure parameters

• Formula: C28 H48 Br2 N2 O2
• Calculated formula: C28 H48 Br2 N2 O2
• Title of publication: The effect of substituents and their positions on a series of disubstituted naphthalene bromide salts towards intermolecular interactions and crystal packing
• Authors of publication: Yeoh, Wei-Jiun; Sobolev, Alexandre N.; Paterson, Martin J.; Dalgarno, Scott J.; Ling, Irene
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.8287 ± 0.0002 Å
• b: 9.7039 ± 0.0003 Å
• c: 16.4007 ± 0.0004 Å
• α: 90°
• β: 93.677 ± 0.003°
• γ: 90°
• Cell volume: 1402.2 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No