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Information card for entry 7158249
Preview
| Coordinates | 7158249.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 O4 |
|---|---|
| Calculated formula | C34 H28 O4 |
| SMILES | c1(ccc(cc1)OC)C(c1ccc(cc1)OC)=C=C=C=C=C(c1ccc(cc1)OC)c1ccc(cc1)OC |
| Title of publication | Unexpected formation of poly-functionalized fulvenes by the reaction of a tetraaryl[5]cumulene with iodine. |
| Authors of publication | Hoshi, Keita; Yasuda, Masashi; Nakamura, Takumi; Yoshida, Yasushi; Ueta, Shoko; Minagawa, Keiji; Kawamura, Yasuhiko; Imada, Yasushi; Yagishita, Fumitoshi |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 35 |
| Pages of publication | 7594 - 7597 |
| a | 10.913 ± 0.004 Å |
| b | 7.442 ± 0.003 Å |
| c | 16.072 ± 0.005 Å |
| α | 90° |
| β | 101.62 ± 0.03° |
| γ | 90° |
| Cell volume | 1278.5 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.2178 |
| Residual factor for significantly intense reflections | 0.1184 |
| Weighted residual factors for significantly intense reflections | 0.2748 |
| Weighted residual factors for all reflections included in the refinement | 0.3523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Duplicate of | 7158247 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7158249.cif |
| 269789 | 2021-10-06 | cif/ Updating files of 7158245, 7158246, 7158247, 7158248, 7158249 Original log message: Adding full bibliography for 7158245--7158249.cif. |
7158249.cif |
| 268117 | 2021-08-18 | cif/ Adding structures of 7158245, 7158246, 7158247, 7158248, 7158249 via cif-deposit CGI script. |
7158249.cif |
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Users of the data should acknowledge the original authors of the
structural data.