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Information card for entry 1554943
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1554943.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | ORGANIC |
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Formula | C20 H22 N2 O4 |
Calculated formula | C20 H22 N2 O4 |
SMILES | O=C1N(C(=O)CC1c1cccc2c1C(=O)C=C(NCCCC)C2=O)CC |
Title of publication | Regioselective C‒H alkylation and alkenylation at the C5 position of 2-amino-1,4-naphthoquinones with maleimides under Rh(iii) catalysis |
Authors of publication | Yakkala, Prasanna Anjaneyulu; Giri, Deepesh; Chaudhary, Bharatkumar; Auti, Prashant; Sharma, Satyasheel |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 14 |
Pages of publication | 2441 |
a | 10.5905 ± 0.0002 Å |
b | 16.0282 ± 0.0004 Å |
c | 11.3851 ± 0.0003 Å |
α | 90° |
β | 116.637 ± 0.001° |
γ | 90° |
Cell volume | 1727.47 ± 0.07 Å3 |
Cell temperature | 135 ± 2 K |
Ambient diffraction temperature | 135 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0488 |
Residual factor for significantly intense reflections | 0.0397 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1129 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/1554943.html
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Users of the data should acknowledge the original authors of the
structural data.