Information card for entry 7246122

Structure parameters

• Formula: C13 H15 N O6
• Calculated formula: C13 H15 N O6
• Title of publication: Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant
• Authors of publication: Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 746 - 754
• a: 25.911 ± 0.004 Å
• b: 4.6748 ± 0.0007 Å
• c: 23.299 ± 0.004 Å
• α: 90°
• β: 104.436 ± 0.002°
• γ: 90°
• Cell volume: 2733.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No