Information card for entry 7121519

Structure parameters

• Formula: C28 H48 B2 N2
• Calculated formula: C28 H48 B2 N2
• Title of publication: Dimerization of boryl- and amino-substituted acetylenes by B₂C₂ four-membered ring formation.
• Authors of publication: Kitamura, Ryo; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 46
• Pages of publication: 5819 - 5822
• a: 13.356 ± 0.003 Å
• b: 10.8079 ± 0.0018 Å
• c: 18.731 ± 0.004 Å
• α: 90°
• β: 102.739 ± 0.003°
• γ: 90°
• Cell volume: 2637.3 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No