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Information card for entry 7246123
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Coordinates | 7246123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H12 O4 |
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Calculated formula | C13 H12 O4 |
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 | 6.5868 ± 0.0015 Å |
b | 8.2313 ± 0.0018 Å |
c | 11.126 ± 0.003 Å |
α | 106.015 ± 0.003° |
β | 97.159 ± 0.003° |
γ | 95.387 ± 0.003° |
Cell volume | 570.1 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0703 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
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 |
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The link is: https://www.crystallography.net/7246123.html
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Users of the data should acknowledge the original authors of the
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