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Information card for entry 4026064
Preview
| Coordinates | 4026064.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 15b-Methyl-1H-benzo[e]indolo[1,2-a]pyrrolo[2,1-c][1,4]diazepine- -3,9(2H,15bH)-dione |
|---|---|
| Formula | C20 H16 N2 O2 |
| Calculated formula | C20 H16 N2 O2 |
| SMILES | N12C(=O)CCC1(c1n(c3c(c1)cccc3)C(=O)c1ccccc21)C |
| Title of publication | Silver- and Gold-Mediated Domino Transformation: A Strategy for Synthesizing Benzo[e]indolo[1,2-a]pyrrolo/pyrido[2,1-c][1,4]diazepine-3,9-diones |
| Authors of publication | Yu Zhou; Jian Li; Xun Ji; Wei Zhou; Xu Zhang; Wangke Qian; Hualiang Jiang; Hong Liu |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2011 |
| Journal volume | 76 |
| Pages of publication | 1239 - 1249 |
| a | 17.9076 ± 0.0016 Å |
| b | 7.1357 ± 0.0006 Å |
| c | 11.9889 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1532 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0387 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4026064.cif |
| 178439 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/60. |
4026064.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4026064.cif |
| 37476 | 2012-03-02 | ../uploads/cif-deposit/cod/cif Adding structures of 4026064 via cif-deposit CGI script. |
4026064.cif |
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