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Information card for entry 1503722
Preview
Coordinates | 1503722.cif |
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Original paper (by DOI) | HTML |
Formula | C20 H18 N2 O4 |
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Calculated formula | C20 H18 N2 O4 |
SMILES | O1C(=O)N(N(c2ccccc2)C(=O)OCc2ccccc2)[C@@H]2[C@H]1C=CC2 |
Title of publication | Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation. |
Authors of publication | Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 1 |
Pages of publication | 181 - 183 |
a | 6.1369 ± 0.0012 Å |
b | 16.452 ± 0.003 Å |
c | 17.008 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1717.2 ± 0.6 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.055 |
Weighted residual factors for significantly intense reflections | 0.1332 |
Weighted residual factors for all reflections included in the refinement | 0.1475 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503722.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503722.cif |
39021 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503722 via cif-deposit CGI script. |
1503722.cif |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.