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Information card for entry 7155578
Preview
Coordinates | 7155578.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C2.24 H2.15 N0.24 O0.21 |
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Calculated formula | C2.23881 H2.14925 N0.238806 O0.208955 |
SMILES | [nH]1c2c(c3c1cccc3)CCN1[C@@H]2N2[C@@H](c3[nH]c4c(c3CC2)cccc4)C(=C1CCCC)C(=O)c1ccc(OC)cc1.OC.OC.[nH]1c2c(c3c1cccc3)CCN1[C@H]2N2[C@H](c3[nH]c4c(c3CC2)cccc4)C(=C1CCCC)C(=O)c1ccc(OC)cc1.OC.OC |
Title of publication | Catalyst-free Synthesis of Novel Dimeric β-Carboline Derivatives via An Unexpected [2 + 2 + 2] Annulation |
Authors of publication | Cui, Hai-Lei; Wang, Jiang-Fang; Zhou, Hai-Lin; You, Xiao-Lin; Jiang, Xiao-Jie |
Journal of publication | Org. Biomol. Chem. |
Year of publication | 2017 |
a | 13.255 ± 0.002 Å |
b | 15.682 ± 0.003 Å |
c | 17.83 ± 0.003 Å |
α | 87.669 ± 0.01° |
β | 72.107 ± 0.009° |
γ | 70.902 ± 0.009° |
Cell volume | 3325.5 ± 1 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2105 |
Residual factor for significantly intense reflections | 0.1099 |
Weighted residual factors for significantly intense reflections | 0.2901 |
Weighted residual factors for all reflections included in the refinement | 0.3683 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7155578.html
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Users of the data should acknowledge the original authors of the
structural data.