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Information card for entry 1555308
Preview
Coordinates | 1555308.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H13 N O3 |
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Calculated formula | C17 H13 N O3 |
SMILES | O=C1O[C@@H](c2ccccc12)C[C@H](O)c1ccc(cc1)C#N |
Title of publication | Dynamic Kinetic Resolution of Phthalides via Asymmetric Transfer Hydrogenation: A Strategy Constructs 1,3-Distereocentered 3-(2-Hydroxy-2-arylethyl)isobenzofuran-1(3H)-one. |
Authors of publication | Cheng, Tanyu; Ye, Qunqun; Zhao, Qiankun; Liu, Guohua |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 20 |
Pages of publication | 4972 - 4975 |
a | 7.1386 ± 0.0001 Å |
b | 8.0009 ± 0.0001 Å |
c | 23.6032 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1348.1 ± 0.03 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0322 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0822 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555308.html
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