Information card for entry 7129856

Structure parameters

• Common name: 1-azido-2,3,4,5-tetraphenylborole pyridine adduct
• Formula: C33 H25 B Cl0.03 N3.92
• Calculated formula: C33 H25 B Cl0.028 N3.916
• Title of publication: Azidoborolate anions and azidoborole adducts: isolable forms of an unstable borole azide
• Authors of publication: Lindl, Felix Dr.; Fantuzzi, Felipe; Mailänder, Lisa; Hörl, Christian; Bélanger-Chabot, Guillaume; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 10.1028 ± 0.0004 Å
• b: 10.3516 ± 0.0004 Å
• c: 14.1317 ± 0.0003 Å
• α: 76.623 ± 0.003°
• β: 78.356 ± 0.003°
• γ: 64.759 ± 0.004°
• Cell volume: 1291.55 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No