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Information card for entry 1554807
Preview
| Coordinates | 1554807.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5a in manuscript |
|---|---|
| Formula | C27 H23 N O |
| Calculated formula | C27 H23 N O |
| SMILES | C1(c2cc3ccccc3c(c2c2ccccc12)c1ccccc1)N1CCOCC1 |
| Title of publication | Direct access to benzo[b]fluorenes via a gold-catalysed A3-coupling strategy |
| Authors of publication | Lustosa, Danilo M.; Cieslik, Patrick; Hartmann, Deborah; Bruckhoff, Tim; Rudolph, Matthias; Rominger, Frank; Hashmi, A. Stephen K. |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 1655 |
| a | 10.4979 ± 0.0007 Å |
| b | 10.7112 ± 0.0007 Å |
| c | 10.8365 ± 0.0007 Å |
| α | 60.7986 ± 0.0016° |
| β | 76.2796 ± 0.0017° |
| γ | 71.3801 ± 0.0017° |
| Cell volume | 1003.08 ± 0.12 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0956 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1259 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1554807.cif |
| 238130 | 2019-11-24 | cif/ Adding structures of 1554807, 1554808 via cif-deposit CGI script. |
1554807.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.