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Information card for entry 1507893
Preview
| Coordinates | 1507893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C28 H19 N O |
|---|---|
| Calculated formula | C28 H19 N O |
| SMILES | c12ccccc1ccc1c2[C@@]2(c3ccccc3C(=O)C=C2)N=C1c1ccc(C)cc1 |
| Title of publication | Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings. |
| Authors of publication | Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 3550 - 3553 |
| a | 14.8671 ± 0.0005 Å |
| b | 11.2207 ± 0.0004 Å |
| c | 12.8259 ± 0.0005 Å |
| α | 90° |
| β | 111.942 ± 0.002° |
| γ | 90° |
| Cell volume | 1984.62 ± 0.13 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0647 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1388 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507893.cif |
| 176729 | 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. |
1507893.cif |
| 113477 | 2014-05-13 | cif/ Updating files of 1507891, 1507892, 1507893, 1507894 Original log message: Adding full bibliography for 1507891--1507894.cif. |
1507893.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507893.cif |
| 62378 | 2012-07-07 | cif/ Adding structures of 1507893 via cif-deposit CGI script. |
1507893.cif |
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Users of the data should acknowledge the original authors of the
structural data.