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Information card for entry 1508717
Preview
Coordinates | 1508717.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H31 Cl N2 O6 |
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Calculated formula | C36 H31 Cl N2 O6 |
SMILES | Clc1ccc2N(Cc3ccccc3)C(=O)[C@@]3(c2c1)[C@@H](C(=O)c1ccc(C)cc1)C(=C(N1[C@@H]3C=C(C)C=C1)C(=O)OC)C(=O)OC.Clc1ccc2N(Cc3ccccc3)C(=O)[C@]3(c2c1)[C@H](C(=O)c1ccc(C)cc1)C(=C(N1[C@H]3C=C(C)C=C1)C(=O)OC)C(=O)OC |
Title of publication | Facile synthesis of dispirooxindole-fused heterocycles via domino 1,4-dipolar addition and Diels-Alder reaction of in situ generated Huisgen 1,4-dipoles. |
Authors of publication | Sun, Jing; Sun, Yan; Gong, Hui; Xie, Ya-Jing; Yan, Chao-Guo |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 20 |
Pages of publication | 5172 - 5175 |
a | 12.882 ± 0.009 Å |
b | 13.095 ± 0.009 Å |
c | 18.933 ± 0.013 Å |
α | 90° |
β | 99.562 ± 0.013° |
γ | 90° |
Cell volume | 3149 ± 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/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0953 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1212 |
Weighted residual factors for all reflections included in the refinement | 0.1425 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1508717.html
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Users of the data should acknowledge the original authors of the
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