Information card for entry 1548594

Structure parameters

• Formula: C23 H37 B N2 Se2
• Calculated formula: C23 H37 B N2 Se2
• Title of publication: Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity.
• Authors of publication: Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2252 - 2260
• a: 17.551 ± 0.006 Å
• b: 15.552 ± 0.005 Å
• c: 17.729 ± 0.006 Å
• α: 90°
• β: 93.183 ± 0.008°
• γ: 90°
• Cell volume: 4832 ± 3 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: 0.2188
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.2245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No