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Information card for entry 1503254
Preview
| Coordinates | 1503254.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H36 Cl N3 O8 |
|---|---|
| Calculated formula | C30 H36 Cl N3 O8 |
| SMILES | C1(=O)[C@H]([C@@H]([C@](C(=O)NC(C)(C)C)(c2ccncc2)N1c1ccc(cc1)Cl)c1c(ccc(c1)OC)O)C(=O)OC.CO.O.C1(=O)[C@@H]([C@H]([C@@](C(=O)NC(C)(C)C)(c2ccncc2)N1c1ccc(cc1)Cl)c1c(ccc(c1)OC)O)C(=O)OC.CO.O |
| Title of publication | One-pot syntheses of chromeno[3,4-c]pyrrole-3,4-diones via Ugi-4CR and intramolecular Michael addition. |
| Authors of publication | Che, Chao; Li, Song; Jiang, Xianlong; Quan, Junmin; Lin, Shuo; Yang, Zhen |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 20 |
| Pages of publication | 4682 - 4685 |
| a | 10.171 ± 0.002 Å |
| b | 10.807 ± 0.002 Å |
| c | 15.41 ± 0.003 Å |
| α | 96.13 ± 0.03° |
| β | 103.5 ± 0.03° |
| γ | 100.83 ± 0.03° |
| Cell volume | 1597.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1031 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
1503254.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. |
1503254.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503254.cif |
| 37131 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503254 via cif-deposit CGI script. |
1503254.cif |
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Users of the data should acknowledge the original authors of the
structural data.