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Information card for entry 1518604
Preview
| Coordinates | 1518604.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H38 N2 O2 Si |
|---|---|
| Calculated formula | C23 H38 N2 O2 Si |
| SMILES | [Si](OC(=C)[C@H]1C(=O)N([C@H]1c1ccc(N(C)C)cc1)C(C)(C)C)(C)(C)C(C)(C)C |
| Title of publication | Enantioselective cis-β-lactam synthesis by intramolecular C-H functionalization from enoldiazoacetamides and derivative donor-acceptor cyclopropenes. |
| Authors of publication | Xu, Xinfang; Deng, Yongming; Yim, David N.; Zavalij, Peter Y.; Doyle, Michael P. |
| Journal of publication | Chemical science (Royal Society of Chemistry : 2010) |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 4 |
| Pages of publication | 2196 - 2201 |
| a | 11.9997 ± 0.0004 Å |
| b | 12.0093 ± 0.0004 Å |
| c | 16.8043 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2421.63 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0358 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| 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. |
1518604.cif |
| 138466 | 2015-06-07 | cif/ Updating files of 1518604 Original log message: Adding full bibliography for 1518604.cif. |
1518604.cif |
| 134898 | 2015-04-06 | cif/ Updating files of 1518604 Original log message: Adding full bibliography for 1518604.cif. |
1518604.cif |
| 130201 | 2015-01-29 | cif/ Adding structures of 1518604 via cif-deposit CGI script. |
1518604.cif |
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Users of the data should acknowledge the original authors of the
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