Information card for entry 7244529

Structure parameters

• Formula: C20 H30 B N O5
• Calculated formula: C20 H30 B N O5
• Title of publication: Synthesis of dihydroisoquinolinone-4-methylboronic esters via domino Heck/borylation using a structurally characterized palladacycle as a catalyst
• Authors of publication: Morla, Jhansi Rani; Nareddula, Dastagiri Reddy
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 6762 - 6771
• a: 9.3411 ± 0.0014 Å
• b: 10.4942 ± 0.0016 Å
• c: 21.238 ± 0.004 Å
• α: 90°
• β: 88.74 ± 0.014°
• γ: 90°
• Cell volume: 2081.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No