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Information card for entry 1546755
Preview
| Coordinates | 1546755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C248 H200 Br8 F8 N8 O16 |
|---|---|
| Calculated formula | C248 H200 Br8 F8 N8 O16 |
| Title of publication | Synthesis of Aminophenanthrenes and Benzoquinolines via Hauser-Kraus Annulation of Sulfonyl Phthalide with Rauhut-Currier Adducts of Nitroalkenes. |
| Authors of publication | Kumar, Tarun; Mane, Vaijinath; Namboothiri, Irishi N. N. |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 16 |
| Pages of publication | 4283 - 4286 |
| a | 15.599 ± 0.0003 Å |
| b | 18.69 ± 0.0005 Å |
| c | 19.2605 ± 0.0005 Å |
| α | 70.341 ± 0.002° |
| β | 87.9 ± 0.002° |
| γ | 67.582 ± 0.002° |
| Cell volume | 4861.2 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0527 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1546755.cif |
| 211196 | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
1546755.cif |
| 200731 | 2017-09-12 | cif/ Updating files of 1546755 Original log message: Adding full bibliography for 1546755.cif. |
1546755.cif |
| 199532 | 2017-08-05 | cif/ Adding structures of 1546755 via cif-deposit CGI script. |
1546755.cif |
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