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Information card for entry 1507523
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| Coordinates | 1507523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 7,16-Diphenylfluorantheneo[8,9-k]fluoranthene |
|---|---|
| Formula | C42 H24 |
| Calculated formula | C42 H24 |
| SMILES | c12c3cccc1cccc2c1c(c2cc4c5cccc6cccc(c4cc2c(c31)c1ccccc1)c56)c1ccccc1 |
| Title of publication | 8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs) |
| Authors of publication | Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter |
| Journal of publication | Organic Letters |
| Year of publication | 2001 |
| Journal volume | 3 |
| Journal issue | 20 |
| Pages of publication | 3115 |
| a | 15.01 ± 0.003 Å |
| b | 9.2219 ± 0.0016 Å |
| c | 20.202 ± 0.004 Å |
| α | 90° |
| β | 101.725 ± 0.004° |
| γ | 90° |
| Cell volume | 2738 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0732 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.119 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1507523.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. |
1507523.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507523.cif |
| 54228 | 2012-04-24 | cif/ Adding structures of 1507523 via cif-deposit CGI script. |
1507523.cif |
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Users of the data should acknowledge the original authors of the
structural data.