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Information card for entry 4027450
Preview
Coordinates | 4027450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H26 Cl3 N3 O |
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Calculated formula | C28 H26 Cl3 N3 O |
SMILES | C1c2ccccc2N[C@H]2C[C@@H](C3=C(C(=O)N(C3)Cc3ccccc3)N12)c1cc(ccc1)Cl.C(Cl)Cl |
Title of publication | α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines |
Authors of publication | Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 7737 - 7743 |
a | 11.822 ± 0.003 Å |
b | 15.382 ± 0.003 Å |
c | 28.246 ± 0.007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5136 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 20 |
Hermann-Mauguin space group symbol | C 2 2 21 |
Hall space group symbol | C 2c 2 |
Residual factor for all reflections | 0.0825 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1071 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4027450.html
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