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Information card for entry 1558393
Preview
Coordinates | 1558393.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H11 N O6 |
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Calculated formula | C14 H11 N O6 |
SMILES | O1c2c(cc(N(=O)=O)cc2)C(=O)C[C@H]1[C@@]1(OC(=O)C=C1)C |
Title of publication | Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones |
Authors of publication | Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 27 |
Pages of publication | 7170 - 7176 |
a | 12.4535 ± 0.0002 Å |
b | 6.5482 ± 0.0001 Å |
c | 15.9054 ± 0.0003 Å |
α | 90° |
β | 105.099 ± 0.002° |
γ | 90° |
Cell volume | 1252.28 ± 0.04 Å3 |
Cell temperature | 93.15 K |
Ambient diffraction temperature | 93.15 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0434 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for significantly intense reflections | 0.0924 |
Weighted residual factors for all reflections included in the refinement | 0.0942 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1558393.html
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