Information card for entry 4038244

Structure parameters

• Formula: C23 H30 B N O6 S
• Calculated formula: C23 H30 B N O6 S
• Title of publication: Photochemical [2 + 2] Cycloaddition of Alkenyl Boronic Derivatives: An Entry into 3-Azabicyclo[3.2.0]heptane Scaffold.
• Authors of publication: Demchuk, Oleksandr P.; Hryshchuk, Oleksandr V.; Vashchenko, Bohdan V.; Kozytskiy, Andriy V.; Tymtsunik, Andriy V.; Komarov, Igor V.; Grygorenko, Oleksandr O.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 9
• Pages of publication: 5927 - 5940
• a: 23.768 ± 0.001 Å
• b: 7.7729 ± 0.0003 Å
• c: 12.6433 ± 0.0006 Å
• α: 90°
• β: 95.457 ± 0.003°
• γ: 90°
• Cell volume: 2325.22 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1342
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No