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Information card for entry 1503395
Preview
Coordinates | 1503395.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H14 N2 O4 |
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Calculated formula | C15 H14 N2 O4 |
SMILES | O=N(=O)c1ccc(cc1)[C@@H]1C[C@H]1/C(=C/C#N)C(=O)OCC.O=N(=O)c1ccc(cc1)[C@H]1C[C@@H]1/C(=C/C#N)C(=O)OCC |
Title of publication | Phosphine-mediated stereoselective reductive cyclopropanation of alpha-substituted allenoates with aromatic aldehydes. |
Authors of publication | Xu, Silong; Zhou, Lili; Ma, Renqin; Song, Haibin; He, Zhengjie |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 3 |
Pages of publication | 544 - 547 |
a | 10.852 ± 0.002 Å |
b | 12.744 ± 0.003 Å |
c | 10.025 ± 0.002 Å |
α | 90° |
β | 90.14 ± 0.03° |
γ | 90° |
Cell volume | 1386.4 ± 0.5 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.0702 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1859 |
Weighted residual factors for all reflections included in the refinement | 0.1955 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.18 |
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/1503395.html
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