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Information card for entry 7159518
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Coordinates | 7159518.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H13 N3 O |
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Calculated formula | C18 H13 N3 O |
Title of publication | N-Heterocyclic carbene-catalyzed enantioselective annulation of 2-amino-1<i>H</i>-indoles and bromoenals for the synthesis of chiral 2-aryl-2,3-dihydropyrimido[1,2-<i>a</i>]indol-4 (1<i>H</i>)-ones. |
Authors of publication | Zhao, Jianbo; Wu, Min; Luo, Jiamin; Shi, Lei; Li, Hao |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 33 |
Pages of publication | 6675 - 6680 |
a | 5.4603 ± 0.0002 Å |
b | 20.5881 ± 0.0009 Å |
c | 12.9406 ± 0.0006 Å |
α | 90° |
β | 93.864 ± 0.002° |
γ | 90° |
Cell volume | 1451.44 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0812 |
Residual factor for significantly intense reflections | 0.0644 |
Weighted residual factors for significantly intense reflections | 0.1718 |
Weighted residual factors for all reflections included in the refinement | 0.1932 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159518.html
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