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Information card for entry 1572776
Preview
Coordinates | 1572776.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H13 Br2 N O2 |
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Calculated formula | C16 H13 Br2 N O2 |
Title of publication | Forging structural complexity: diastereoselective synthesis of densely substituted β-lactams with dual functional handles for enhanced core modifications. |
Authors of publication | Rodriguez Treviño, Agustin M; Loch-Temzelides, Pierre; Pandiri, Sanjay; Kirkland, Justin K.; Davenport, Michael T.; Aguinaga, Ulises; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 36 |
Pages of publication | 14668 - 14676 |
a | 9.9175 ± 0.0014 Å |
b | 17.323 ± 0.003 Å |
c | 10.7669 ± 0.0015 Å |
α | 90° |
β | 115.609 ± 0.002° |
γ | 90° |
Cell volume | 1668.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0852 |
Residual factor for significantly intense reflections | 0.0442 |
Weighted residual factors for significantly intense reflections | 0.1051 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/1572776.html
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