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Information card for entry 1565837
Preview
Coordinates | 1565837.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H20 O4 |
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Calculated formula | C25 H20 O4 |
SMILES | O=C(C)[C@]1(OC(=O)c2ccccc2[C@]1(O)/C=C/c1ccccc1)c1ccccc1 |
Title of publication | Asymmetric synthesis of isochromanone derivatives via trapping carboxylic oxonium ylides and aldol cascade |
Authors of publication | Lang, Jiawen; Wang, Siyuan; He, Changli; Liu, Xiaohua; Feng, Xiaoming |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 4 |
Pages of publication | 1163 - 1168 |
a | 17.6742 ± 0.0003 Å |
b | 17.6742 ± 0.0003 Å |
c | 11.6231 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 3144.36 ± 0.11 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 3 |
Space group number | 169 |
Hermann-Mauguin space group symbol | P 61 |
Hall space group symbol | P 61 |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0383 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1046 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/1565837.html
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Users of the data should acknowledge the original authors of the
structural data.