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Information card for entry 1508714
Preview
Coordinates | 1508714.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C61 H50 Cl4 N4 O8 |
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Calculated formula | C61 H50 Cl4 N4 O8 |
SMILES | c1ccccc1CN1c2ccc(cc2[C@@]2(C1=O)[C@H](C(=O)c1ccc(cc1)Cl)C(=C(C(=O)OCC)N1[C@H]2[C@@H]2C(=C[C@H]1[C@@]1([C@H]2C(=O)c2ccc(cc2)Cl)C(=O)N(c2c1cc(cc2)Cl)Cc1ccccc1)N(C)C)C(=O)OCC)Cl.c1ccccc1CN1c2ccc(cc2[C@]2(C1=O)[C@@H](C(=O)c1ccc(cc1)Cl)C(=C(C(=O)OCC)N1[C@@H]2[C@H]2C(=C[C@@H]1[C@]1([C@@H]2C(=O)c2ccc(cc2)Cl)C(=O)N(c2c1cc(cc2)Cl)Cc1ccccc1)N(C)C)C(=O)OCC)Cl |
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 | 10.4418 ± 0.0018 Å |
b | 14.56 ± 0.003 Å |
c | 20.248 ± 0.005 Å |
α | 103.886 ± 0.003° |
β | 92.639 ± 0.003° |
γ | 110.608 ± 0.002° |
Cell volume | 2768.2 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1415 |
Residual factor for significantly intense reflections | 0.0809 |
Weighted residual factors for significantly intense reflections | 0.24 |
Weighted residual factors for all reflections included in the refinement | 0.2911 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 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/1508714.html
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