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Information card for entry 1503197
Preview
Coordinates | 1503197.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H19 N O5 |
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Calculated formula | C17 H19 N O5 |
SMILES | O=N(=O)c1ccc(cc1)C(=O)OC[C@@H]1OC[C@@H]2[C@H](C1=C(C)C)C2.O=N(=O)c1ccc(cc1)C(=O)OC[C@H]1OC[C@H]2[C@@H](C1=C(C)C)C2 |
Title of publication | Synthesis of 3-oxa- and 3-azabicyclo[4.1.0]heptanes by gold-catalyzed cycloisomerization of cyclopropenes. |
Authors of publication | Miege, Frédéric; Meyer, Christophe; Cossy, Janine |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 18 |
Pages of publication | 4144 - 4147 |
a | 8.2353 ± 0.0005 Å |
b | 13.2297 ± 0.0016 Å |
c | 28.508 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3106 ± 0.5 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.1494 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.1882 |
Weighted residual factors for all reflections included in the refinement | 0.2253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/1503197.html
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