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Information card for entry 7116082
Preview
| Coordinates | 7116082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | dibenzonaphthyridine |
|---|---|
| Formula | C23 H16 N2 |
| Calculated formula | C23 H16 N2 |
| SMILES | n1c2c(cc3c(nc4c(c13)cccc4)c1ccc(cc1)C)cccc2 |
| Title of publication | One-pot synthesis of dibenzo[b,h][1,6]naphthyridines from 2-acetylaminobenzaldehyde: application to a fluorescent DNA-binding compound |
| Authors of publication | Kentaro Okuma; Tomohiro Koga; Saori Ozaki; Yutaro Suzuki; Kenta Horigami; Noriyoshi Nagahora; Kosei Shioji; Masatora Fukuda; Masanobu Deshimaru |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 15525 |
| a | 36.98 ± 0.018 Å |
| b | 5.904 ± 0.003 Å |
| c | 15.103 ± 0.007 Å |
| α | 90° |
| β | 90.257 ± 0.009° |
| γ | 90° |
| Cell volume | 3297 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1603 |
| Residual factor for significantly intense reflections | 0.0707 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.172 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116082.cif |
| 180274 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/60. |
7116082.cif |
| 129004 | 2014-12-22 | cif/ Adding structures of 7116081, 7116082 via cif-deposit CGI script. |
7116082.cif |
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Users of the data should acknowledge the original authors of the
structural data.