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Information card for entry 1574991
Preview
Coordinates | 1574991.cif |
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Original paper (by DOI) | HTML |
Chemical name | (2S,5R)-2-isopropyl-3,6-dimethoxy-5-(4-methoxyphenyl)-2,5-dihydropyrazine |
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Formula | C32 H44 N4 O6 |
Calculated formula | C32 H44 N4 O6 |
Title of publication | Diastereoselective Arylation of Bis-Lactim Ethers Catalyzed by N-coordinating Ylide-Functionalized Phosphine (NYPhos) |
Authors of publication | Sowa Prendes, Daniel; Löffler, Julian; Martins Barreto, Ivan; Sankaran, Nagesh; Remm, Henning; Oliveira, Ronaldo; Gessner, Viktoria H.; Goossen, Lukas J. |
Journal of publication | Chemical Science |
Year of publication | 2025 |
a | 7.8893 ± 0.0002 Å |
b | 9.6176 ± 0.0002 Å |
c | 41.2385 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3129.02 ± 0.12 Å3 |
Cell temperature | 99.98 ± 0.1 K |
Ambient diffraction temperature | 99.98 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0514 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for significantly intense reflections | 0.1298 |
Weighted residual factors for all reflections included in the refinement | 0.1322 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0273 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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300270 (current) | 2025-07-01 | cif/ Adding structures of 1574991, 1574992, 1574993 via cif-deposit CGI script. |
1574991.cif |
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Users of the data should acknowledge the original authors of the
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