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Information card for entry 7155283
Preview
| Coordinates | 7155283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H11 Br O2 |
|---|---|
| Calculated formula | C15 H11 Br O2 |
| SMILES | Brc1cc2c3cc(c(cc3C(=O)Oc2cc1)C)C |
| Title of publication | A metal-free one-pot synthesis of benzo[c]chromen-6-ones from 3,4-dichlorocoumarins and butadienes using tandem photo-thermal-photo reactions. |
| Authors of publication | Zhang, Yan; Tian, Yan; Xiang, Pei; Huang, Ning; Wang, Jianyi; Xu, Jian-Hua; Zhang, Min |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 41 |
| Pages of publication | 9874 - 9882 |
| a | 7.865 ± 0.0011 Å |
| b | 8.607 ± 0.0011 Å |
| c | 10.2615 ± 0.0015 Å |
| α | 92.788 ± 0.006° |
| β | 112.186 ± 0.006° |
| γ | 105.046 ± 0.004° |
| Cell volume | 612.75 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155283.cif |
| 188284 | 2016-11-08 | cif/ Updating files of 7155282, 7155283 Original log message: Adding full bibliography for 7155282--7155283.cif. |
7155283.cif |
| 186622 | 2016-09-17 | cif/ Adding structures of 7155282, 7155283 via cif-deposit CGI script. |
7155283.cif |
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Users of the data should acknowledge the original authors of the
structural data.