Information card for entry 1566314

Structure parameters

• Formula: C19 H17 B S
• Calculated formula: C19 H17 B S
• Title of publication: Diboramacrocycles: reversible borole dimerisation-dissociation systems.
• Authors of publication: Fuchs, Sonja; Jayaraman, Arumugam; Krummenacher, Ivo; Haley, Laura; Baštovanović, Marta; Fest, Maximilian; Radacki, Krzysztof; Helten, Holger; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 2932 - 2938
• a: 13.289 ± 0.006 Å
• b: 30.28 ± 0.016 Å
• c: 7.763 ± 0.005 Å
• α: 90°
• β: 93.3 ± 0.02°
• γ: 90°
• Cell volume: 3119 ± 3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 4
• 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: 0.0821
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No