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Information card for entry 7225227
Preview
Coordinates | 7225227.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H21 N O4 |
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Calculated formula | C20 H21 N O4 |
SMILES | OC(=O)[C@@H]1[C@@H](N(C(=O)CC1)c1ccc(OC)cc1)c1ccc(cc1)C.OC(=O)[C@H]1[C@H](N(C(=O)CC1)c1ccc(OC)cc1)c1ccc(cc1)C |
Title of publication | The rare cis-configured trisubstituted lactam products obtained by the Castagnoli-Cushman reaction in N,N-dimethylformamide |
Authors of publication | Dar'in, Dmitry; Bakulina, Olga; Nikolskaya, Sofia; Gluzdikov, Ivan; Krasavin, Mikhail |
Journal of publication | RSC Adv. |
Year of publication | 2016 |
a | 6.3469 ± 0.0006 Å |
b | 27.815 ± 0.003 Å |
c | 10.896 ± 0.001 Å |
α | 90° |
β | 99.887 ± 0.011° |
γ | 90° |
Cell volume | 1895 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0721 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1492 |
Weighted residual factors for all reflections included in the refinement | 0.1652 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.7107 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/7225227.html
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