Information card for entry 1571105

Structure parameters

• Chemical name: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[3.6]decan-1-one
• Formula: C16 H27 B O3
• Calculated formula: C16 H27 B O3
• Title of publication: Borylated cyclobutanes <i>via</i> thermal [2 + 2]-cycloaddition.
• Authors of publication: Prysiazhniuk, Kateryna; Polishchuk, Oleksandr; Shulha, Stanislav; Gudzikevych, Kyrylo; Datsenko, Oleksandr P.; Kubyshkin, Vladimir; Mykhailiuk, Pavel K.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 3249 - 3254
• a: 6.7371 ± 0.0003 Å
• b: 9.7392 ± 0.0005 Å
• c: 13.4409 ± 0.0006 Å
• α: 102.908 ± 0.003°
• β: 102.707 ± 0.003°
• γ: 103.17 ± 0.003°
• Cell volume: 802.2 ± 0.07 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No