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Information card for entry 4030091
Preview
Coordinates | 4030091.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H33 N3 O2 |
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Calculated formula | C36 H33 N3 O2 |
SMILES | O=C1N(c2c(C1(c1c[nH]c3ccccc13)c1ccc3c([nH]c(c3C)C)c1)cccc2)Cc1ccccc1.O=C(C)C |
Title of publication | Organocatalytic Arylation of 3-Indolylmethanols via Chemo- and Regiospecific C6-Functionalization of Indoles. |
Authors of publication | Zhou, Lu-Jia; Zhang, Yu-Chen; Zhao, Jia-Jia; Shi, Feng; Tu, Shu-Jiang |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 21 |
Pages of publication | 10390 |
a | 9.0471 ± 0.0013 Å |
b | 11.2646 ± 0.0016 Å |
c | 14.82 ± 0.002 Å |
α | 94.978 ± 0.01° |
β | 104.479 ± 0.009° |
γ | 90.047 ± 0.01° |
Cell volume | 1456.5 ± 0.4 Å3 |
Cell temperature | 296.15 K |
Ambient diffraction temperature | 296.15 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 | 0.1474 |
Residual factor for significantly intense reflections | 0.0826 |
Weighted residual factors for significantly intense reflections | 0.2441 |
Weighted residual factors for all reflections included in the refinement | 0.2873 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0897 |
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/4030091.html
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