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Information card for entry 1547053
Preview
Coordinates | 1547053.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H18 N2 O5 |
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Calculated formula | C13 H18 N2 O5 |
SMILES | O=C1C(=N#N)[C@]2(O)[C@](C1)(CCC[C@@H]2OC)C(=O)OCC.O=C1C(=N#N)[C@@]2(O)[C@@](C1)(CCC[C@H]2OC)C(=O)OCC |
Title of publication | Rearrangements of α-Diazo-β-hydroxyketones for the Synthesis of Bicyclo[m.n.1]alkanones. |
Authors of publication | Li, Zhengning; Lam, Shuk Mei; Ip, Ignatius; Wong, Wing-Tak; Chiu, Pauline |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4464 - 4467 |
a | 25.2209 ± 0.0013 Å |
b | 7.4847 ± 0.0004 Å |
c | 17.0575 ± 0.0009 Å |
α | 90° |
β | 119.615 ± 0.001° |
γ | 90° |
Cell volume | 2799.3 ± 0.3 Å3 |
Cell temperature | 304 ± 2 K |
Ambient diffraction temperature | 304 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0373 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0913 |
Weighted residual factors for all reflections included in the refinement | 0.0952 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547053.html
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Users of the data should acknowledge the original authors of the
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