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Information card for entry 1540467
Preview
Coordinates | 1540467.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H11 N3 O6 |
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Calculated formula | C17 H11 N3 O6 |
SMILES | O=N(=O)c1ccc2nc(oc2c1)[C@@H]1[C@H]([C@H]1C=O)c1ccc(N(=O)=O)cc1.O=N(=O)c1ccc2nc(oc2c1)[C@H]1[C@@H]([C@@H]1C=O)c1ccc(N(=O)=O)cc1 |
Title of publication | Synergistic catalysis: cis-cyclopropanation of benzoxazoles |
Authors of publication | Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | 984 |
a | 9.9877 ± 0.0005 Å |
b | 15.1541 ± 0.0007 Å |
c | 10.2131 ± 0.0006 Å |
α | 90° |
β | 103.161 ± 0.005° |
γ | 90° |
Cell volume | 1505.2 ± 0.14 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1725 |
Residual factor for significantly intense reflections | 0.1503 |
Weighted residual factors for significantly intense reflections | 0.3307 |
Weighted residual factors for all reflections included in the refinement | 0.3428 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation probe | x-ray |
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/1540467.html
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Users of the data should acknowledge the original authors of the
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