Information card for entry 2022867

Structure parameters

• Common name: <i>N</i>,<i>N</i>-Diethyl-2,2-diphenyl-2<i>H</i>-1,3λ^3^,2λ^4^-benzodioxaborinin-7-amine
• Chemical name: 7-(Diethylamino)-2,2-diphenyl-1,3-dioxa-2-borata-1,2-dihydronaphthalene
• Formula: C23 H24 B N O2
• Calculated formula: C23 H24 B N O2
• Title of publication: Unusual reaction of (<i>E</i>)-2-[(benzo[<i>d</i>]thia-zol-2-yl-imino)-meth-yl]-5-(di-ethyl-amino)-phenol with tri-phenyl-borane: crystal structures and optical properties.
• Authors of publication: Le Thi Hong, Hai; Le Phuong, Thao; Van Pham, Thong; Minh Thi Nguyen, Hue; Van Meervelt, Luc
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 11
• Pages of publication: 982 - 987
• a: 10.6725 ± 0.0005 Å
• b: 11.8934 ± 0.0004 Å
• c: 16.1411 ± 0.0007 Å
• α: 86.207 ± 0.003°
• β: 87.553 ± 0.004°
• γ: 88.394 ± 0.003°
• Cell volume: 2041.82 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1228
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes