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Information card for entry 1517669
Preview
| Coordinates | 1517669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H26 N2 O4 |
|---|---|
| Calculated formula | C25 H26 N2 O4 |
| SMILES | O=C1N(C)c2c(cccc2)[C@]1(C)C(=O)C(C)(C(=O)[C@@]1(C)c2ccccc2N(C)C1=O)C.O=C1N(C)c2c(cccc2)[C@@]1(C)C(=O)C(C)(C(=O)[C@]1(C)c2ccccc2N(C)C1=O)C |
| Title of publication | Copper-Mediated Construction of Spirocyclic Bis-oxindoles via a Double C-H, Ar-H Coupling Process. |
| Authors of publication | Drouhin, Pauline; Hurst, Timothy E.; Whitwood, Adrian C.; Taylor, Richard J. K. |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 18 |
| Pages of publication | 4900 - 4903 |
| a | 8.64219 ± 0.00011 Å |
| b | 11.74898 ± 0.00019 Å |
| c | 21.3609 ± 0.0003 Å |
| α | 90° |
| β | 90.4435 ± 0.0012° |
| γ | 90° |
| Cell volume | 2168.85 ± 0.05 Å3 |
| Cell temperature | 110.05 ± 0.1 K |
| Ambient diffraction temperature | 110.05 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0526 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1077 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation probe | x-ray |
| 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. |
1517669.cif |
| 124886 | 2014-10-06 | cif/ Updating files of 1517665, 1517666, 1517667, 1517668, 1517669, 1517670 Original log message: Adding full bibliography for 1517665--1517670.cif. |
1517669.cif |
| 123650 | 2014-09-10 | cif/ Adding structures of 1517665, 1517666, 1517667, 1517668, 1517669, 1517670 via cif-deposit CGI script. |
1517669.cif |
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Users of the data should acknowledge the original authors of the
structural data.