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Information card for entry 1507863
Preview
Coordinates | 1507863.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H17 Cl N2 O |
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Calculated formula | C24 H17 Cl N2 O |
SMILES | c1(ccc(cc1)C(=O)C(c1c[nH]c2c1cccc2)c1c[nH]c2c1cccc2)Cl |
Title of publication | Metal-free sp3 C-H bond dual-(het)arylation: I2-promoted domino process to construct 2,2-bisindolyl-1-arylethanones. |
Authors of publication | Zhu, Yan-ping; Liu, Mei-cai; Jia, Feng-cheng; Yuan, Jing-jing; Gao, Qing-he; Lian, Mi; Wu, An-xin |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 13 |
Pages of publication | 3392 - 3395 |
a | 10.7869 ± 0.001 Å |
b | 12.4394 ± 0.0011 Å |
c | 14.7593 ± 0.0014 Å |
α | 90° |
β | 103.442 ± 0.002° |
γ | 90° |
Cell volume | 1926.2 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.075 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1433 |
Weighted residual factors for all reflections included in the refinement | 0.1514 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1507863.html
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