Information card for entry 7118936

Structure parameters

• Formula: C36 H40 B N O2
• Calculated formula: C36 H40 B N O2
• SMILES: N(Cc1ccccc1)(C(C1(B2OC(C(O2)(C)C)(C)C)CC1)c1ccccc1c1ccccc1)Cc1ccccc1
• Title of publication: Copper-catalyzed regio- and enantioselective aminoboration of alkylidenecyclopropanes: the synthesis of cyclopropane-containing β-aminoalkylboranes.
• Authors of publication: Jiang, Han-Chun; Tang, Xiang-Ying; Shi, Min
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 30
• Pages of publication: 5273 - 5276
• a: 9.7416 ± 0.0016 Å
• b: 10.1024 ± 0.0017 Å
• c: 16.6 ± 0.003 Å
• α: 92.408 ± 0.004°
• β: 106.474 ± 0.004°
• γ: 105.593 ± 0.004°
• Cell volume: 1496.5 ± 0.4 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: 0.0842
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No