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Information card for entry 1518390
Preview
| Coordinates | 1518390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 O |
|---|---|
| Calculated formula | C10 H12 O |
| SMILES | O=C1C(=CC/C1=C\C(=C)C)C |
| Title of publication | Silver(I)-catalyzed ring-contractive rearrangement: a new entry to 5-alkylidene-2-cyclopentenones. |
| Authors of publication | Zhao, Liang; Wang, Jinlian; Zheng, Hongyan; Li, Yun; Yang, Ke; Cheng, Bin; Jin, Xiaojie; Yao, Xiaojun; Zhai, Hongbin |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 24 |
| Pages of publication | 6378 - 6381 |
| a | 6.47 ± 0.0012 Å |
| b | 7.714 ± 0.003 Å |
| c | 9.5819 ± 0.0017 Å |
| α | 94.92 ± 0.02° |
| β | 98.689 ± 0.015° |
| γ | 110.41 ± 0.02° |
| Cell volume | 438.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.1661 |
| Weighted residual factors for all reflections included in the refinement | 0.1863 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518390.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. |
1518390.cif |
| 131526 | 2015-02-08 | cif/ Updating files of 1518390, 1518391 Original log message: Adding full bibliography for 1518390--1518391.cif. |
1518390.cif |
| 128466 | 2014-12-07 | cif/ Adding structures of 1518390, 1518391 via cif-deposit CGI script. |
1518390.cif |
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