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Information card for entry 1507743
Preview
| Coordinates | 1507743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C15 H13 N O2 |
|---|---|
| Calculated formula | C15 H13 N O2 |
| SMILES | O=C1Nc2c(c3c(C1)cccc3)cccc2OC |
| Title of publication | KO(t)Bu Mediated Synthesis of Phenanthridinones and Dibenzoazepinones. |
| Authors of publication | Bhakuni, Bhagat Singh; Kumar, Amit; Balkrishna, Shah Jaimin; Sheikh, Javeed Ahmed; Konar, Sanjit; Kumar, Sangit |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 2838 - 2841 |
| a | 13.3427 ± 0.0007 Å |
| b | 12.7932 ± 0.0006 Å |
| c | 14.2313 ± 0.0007 Å |
| α | 90° |
| β | 98.272 ± 0.004° |
| γ | 90° |
| Cell volume | 2404 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1509 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1495 |
| Weighted residual factors for all reflections included in the refinement | 0.1994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| 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. |
1507743.cif |
| 288255 | 2023-12-12 | cif/ Corrected the misspelt variants of the '_computing_data_collection' data name in entries 1504862, 1507743, 4083114, 4345899, 7014705, 7025167. Changed data name '_dif_diffrn_radiation_source' to '_dif_diffrn_radiation_source' in entry 4083114. |
1507743.cif |
| 201954 | 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. |
1507743.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. |
1507743.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507743.cif |
| 59832 | 2012-06-13 | cif/ Adding structures of 1507743 via cif-deposit CGI script. |
1507743.cif |
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Users of the data should acknowledge the original authors of the
structural data.