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Information card for entry 7240106
Preview
| Coordinates | 7240106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H34 N2 O2 |
|---|---|
| Calculated formula | C35 H34 N2 O2 |
| SMILES | O=C1c2c(c(n(c3ccccc3)c2CC(C1)(C)C)c1ccccc1)c1c2cccccc2cc1.O=CN(C)C |
| Title of publication | Three-component reaction of azulene, aryl glyoxal and 1,3-dicarbonyl compound for the synthesis of various azulene derivatives |
| Authors of publication | Gong, Jing; Peshkov, Anatoly A.; Yu, Jiafeng; Amandykova, Sagadat; Gimnkhan, Aidana; Huang, Jianjun; Kashtanov, Stepan; Pereshivko, Olga P.; Peshkov, Vsevolod A. |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 17 |
| Pages of publication | 10113 - 10117 |
| a | 10.9118 ± 0.0006 Å |
| b | 11.6167 ± 0.0006 Å |
| c | 13.1533 ± 0.0007 Å |
| α | 114.9 ± 0.002° |
| β | 109.637 ± 0.002° |
| γ | 96.01 ± 0.002° |
| Cell volume | 1363.93 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0844 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298328 (current) | 2025-03-07 | cif/7: Fixing Z values and formulae |
7240106.cif |
| 276327 | 2022-06-28 | cif/7/24/01/ Removed the '_chemical_name_systematic' data item that had an incorrect value from entry 7240106. |
7240106.cif |
| 258045 | 2020-10-06 | cif/ Updating files of 7240106 Original log message: Adding full bibliography for 7240106.cif. |
7240106.cif |
| 249269 | 2020-03-11 | cif/ Adding structures of 7240106 via cif-deposit CGI script. |
7240106.cif |
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Users of the data should acknowledge the original authors of the
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