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Information card for entry 7159593
Preview
Coordinates | 7159593.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H33 N3 O2 |
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Calculated formula | C22 H33 N3 O2 |
Title of publication | Synthesis of the diazatricycloundecane scaffold <i>via</i> gold(I)-catalysed Conia-ene-type 5-<i>exo-dig</i> cyclization and stepwise substituent assembly for the construction of an sp<sup>3</sup>-rich compound library. |
Authors of publication | Doi, Tomoya; Umedera, Kohei; Miura, Kazuki; Morita, Taiki; Nakamura, Hiroyuki |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 43 |
Pages of publication | 8716 - 8726 |
a | 16.4271 ± 0.0003 Å |
b | 9.6289 ± 0.0002 Å |
c | 12.6774 ± 0.0002 Å |
α | 90° |
β | 96.421 ± 0.002° |
γ | 90° |
Cell volume | 1992.67 ± 0.06 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0562 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1175 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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