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Information card for entry 7160348
Preview
Coordinates | 7160348.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H19 N O5 S |
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Calculated formula | C14 H19 N O5 S |
Title of publication | Chemodivergent Synthesis of cis-4-Hydroxyprolines from Diastereomerically Enriched Epoxides |
Authors of publication | DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert Vincent |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2025 |
a | 11.497 ± 0.0017 Å |
b | 20.881 ± 0.003 Å |
c | 6.4271 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1542.9 ± 0.4 Å3 |
Cell temperature | 99.97 ± 0.16 K |
Ambient diffraction temperature | 99.97 ± 0.16 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1056 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.103 |
Weighted residual factors for all reflections included in the refinement | 0.1127 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
297513 (current) | 2025-01-29 | cif/ Adding structures of 7160347, 7160348, 7160349, 7160350 via cif-deposit CGI script. |
7160348.cif |
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Users of the data should acknowledge the original authors of the
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