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Information card for entry 1555118
Preview
Coordinates | 1555118.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H28 Cl2 N2 O3 |
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Calculated formula | C34 H28 Cl2 N2 O3 |
SMILES | C1CC[C@@H]2[C@@H](c3c(cccc3)Cl)c3c(/C=C/c4c(cccc4)Cl)nc4c(c3C(=O)/C(=C\N12)C(=O)OC)cc(C)cc4.C1CC[C@H]2[C@H](c3c(cccc3)Cl)c3c(/C=C/c4c(cccc4)Cl)nc4c(c3C(=O)/C(=C\N12)C(=O)OC)cc(C)cc4 |
Title of publication | Efficient construction of pyrrolo[1′,2′:1,2]azocino[4,5-c]quinolines via cascade cycloaddition and annulation reaction |
Authors of publication | Wu, Wen-Tao; Han, Ying; Sun, Jing; Yan, Chao-Guo |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 20 |
Pages of publication | 3530 |
a | 10.1992 ± 0.001 Å |
b | 17.1094 ± 0.0019 Å |
c | 33.448 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5836.7 ± 1 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1643 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.1324 |
Weighted residual factors for all reflections included in the refinement | 0.1624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/1555118.html
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