Information card for entry 1554796

Structure parameters

• Formula: C24 H44 B2 N2 O4
• Calculated formula: C24 H44 B2 N2 O4
• Title of publication: Rhombic cyclobutadiene with a boryl/amino-substitution pattern: boryl group migration induced by reaction with water.
• Authors of publication: Onuma, Kaoru; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 1212 - 1215
• a: 12.939 ± 0.003 Å
• b: 13.093 ± 0.003 Å
• c: 15.573 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2638.2 ± 1.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No