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Information card for entry 1572749
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Coordinates | 1572749.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H28 N O3 P S |
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Calculated formula | C29 H28 N O3 P S |
Title of publication | Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from <i>N</i>-allenamides <i>via</i> [1,3]-sulfonyl shift at room temperature. |
Authors of publication | Guo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 43 |
Pages of publication | 17962 - 17970 |
a | 11.2161 ± 0.0017 Å |
b | 11.2502 ± 0.0018 Å |
c | 11.6904 ± 0.0018 Å |
α | 89.379 ± 0.005° |
β | 62.804 ± 0.004° |
γ | 74.413 ± 0.005° |
Cell volume | 1253 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.1345 |
Weighted residual factors for all reflections included in the refinement | 0.1355 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
296377 (current) | 2024-12-06 | cif/ Updating files of 1572747, 1572748, 1572749 Original log message: Adding full bibliography for 1572747--1572749.cif. |
1572749.cif |
295020 | 2024-10-04 | cif/ Adding structures of 1572747, 1572748, 1572749 via cif-deposit CGI script. |
1572749.cif |
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Users of the data should acknowledge the original authors of the
structural data.