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Information card for entry 7242948
Preview
Coordinates | 7242948.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H22 N2 |
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Calculated formula | C30 H22 N2 |
SMILES | c12c(c3ccccc3[nH]2)C(=CC(c2ccccc2)(c2ccccc2)N=C1)c1ccccc1 |
Title of publication | Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols |
Authors of publication | Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin |
Journal of publication | RSC Advances |
Year of publication | 2021 |
Journal volume | 11 |
Journal issue | 32 |
Pages of publication | 19639 - 19646 |
a | 14.5637 ± 0.0013 Å |
b | 10.7601 ± 0.001 Å |
c | 16.2434 ± 0.0015 Å |
α | 90° |
β | 98.077 ± 0.001° |
γ | 90° |
Cell volume | 2520.2 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293.15 K |
Number of distinct elements | 3 |
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 | 0.0779 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1138 |
Weighted residual factors for all reflections included in the refinement | 0.1252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
265663 (current) | 2021-06-02 | cif/ Adding structures of 7242947, 7242948 via cif-deposit CGI script. |
7242948.cif |
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Users of the data should acknowledge the original authors of the
structural data.