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Information card for entry 7036349
Preview
Coordinates | 7036349.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 N O P |
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Calculated formula | C13 H18 N O P |
SMILES | P(=O)(c1n(c2ccccc2c1)C)C(C)(C)C |
Title of publication | Developing five-membered heterocycle substituted phosphinous acids as ligands for palladium-catalyzed Suzuki-Miyaura and Catellani reactions. |
Authors of publication | Chang, Ting-Wei; Ho, Pei-Yun; Mao, Kuo-Chung; Hong, Fung-E |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 39 |
Pages of publication | 17129 - 17142 |
a | 24.4349 ± 0.0011 Å |
b | 8.1832 ± 0.0004 Å |
c | 6.3091 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1261.54 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0345 |
Weighted residual factors for significantly intense reflections | 0.0772 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
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/7036349.html
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