Information card for entry 4088115

Structure parameters

• Formula: C23 H16 B N
• Calculated formula: C23 H16 B N
• SMILES: [n]12ccccc1c1ccccc1[B]12c2c(c3c1cccc3)cccc2
• Title of publication: Facile Arylation of Four-Coordinate Boron Halides by Borenium Cation Mediated Boro-desilylation and -destannylation.
• Authors of publication: Crossley, Daniel L.; Cid, Jessica; Curless, Liam D.; Turner, Michael L.; Ingleson, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5767 - 5774
• a: 13.141 ± 0.0011 Å
• b: 15.2335 ± 0.0009 Å
• c: 8.3686 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1675.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No