Information card for entry 7154508

Structure parameters

• Formula: C18 H20 B N O4
• Calculated formula: C18 H20 B N O4
• Title of publication: N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.
• Authors of publication: Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 26
• Pages of publication: 7136 - 7139
• a: 13.048 ± 0.002 Å
• b: 10.7891 ± 0.0019 Å
• c: 12.787 ± 0.002 Å
• α: 90°
• β: 112.161 ± 0.002°
• γ: 90°
• Cell volume: 1667.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No