Information card for entry 7245032

Structure parameters

• Formula: C20 H26 Br2 N4 O2
• Calculated formula: C20 H26 Br2 N4 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: 8.8271 ± 0.0011 Å
• b: 13.4405 ± 0.0014 Å
• c: 18.04 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2140.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.2452
• Weighted residual factors for all reflections included in the refinement: 0.2709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No