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Information card for entry 1503242
Preview
| Coordinates | 1503242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H22 N2 O4 |
|---|---|
| Calculated formula | C23 H22 N2 O4 |
| SMILES | C1=C[C@@H]([C@@]2(C(=O)N1c1ccc(cc1)N(=O)=O)C(=O)CC(C2)(C)C)c1ccccc1.C1=C[C@H]([C@]2(C(=O)N1c1ccc(cc1)N(=O)=O)C(=O)CC(C2)(C)C)c1ccccc1 |
| Title of publication | Periselectivity switch of acylketenes in cycloadditions with 1-azadienes: microwave-assisted diastereoselective domino three-component synthesis of α-spiro-δ-lactams. |
| Authors of publication | Presset, Marc; Coquerel, Yoann; Rodriguez, Jean |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 18 |
| Pages of publication | 4212 - 4215 |
| a | 10.2408 ± 0.0002 Å |
| b | 19.6871 ± 0.0004 Å |
| c | 19.3546 ± 0.0003 Å |
| α | 90° |
| β | 91.221 ± 0.002° |
| γ | 90° |
| Cell volume | 3901.23 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1289 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1942 |
| Weighted residual factors for all reflections included in the refinement | 0.2491 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| 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 |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1503242.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. |
1503242.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503242.cif |
| 37122 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503242 via cif-deposit CGI script. |
1503242.cif |
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