Information card for entry 7118006

Structure parameters

• Formula: C24 H38 B2 P2
• Calculated formula: C24 H38 B2 P2
• SMILES: [P]1(CC[P]([B](=[B]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C)(C)C
• Title of publication: Synthesis of cyclic diborenes with unprecedented cis-configuration
• Authors of publication: Philipp Bissinger; Holger Braunschweig; Mehmet Ali Celik; Christina Claes; Rian D. Dewhurst; Sebastian Endres; Hauke Kelch; Thomas Kramer; Ivo Krummenacher; Christoph Schneider
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15917
• a: 9.367 ± 0.004 Å
• b: 15.172 ± 0.003 Å
• c: 17.348 ± 0.004 Å
• α: 90°
• β: 96.96 ± 0.02°
• γ: 90°
• Cell volume: 2447.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No