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Information card for entry 4033091
Preview
Coordinates | 4033091.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H11 N O2 |
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Calculated formula | C15 H11 N O2 |
SMILES | N(=O)(=O)C1=C(c2c(cccc2)C1)c1ccccc1 |
Title of publication | Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes. |
Authors of publication | Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 18 |
Pages of publication | 9877 - 9884 |
a | 12.2869 ± 0.0011 Å |
b | 6.2004 ± 0.0005 Å |
c | 15.4191 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1174.68 ± 0.16 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0433 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.1007 |
Weighted residual factors for all reflections included in the refinement | 0.107 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4033091.html
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