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Information card for entry 7235890
Preview
| Coordinates | 7235890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H26 Br N O3 |
|---|---|
| Calculated formula | C30 H26 Br N O3 |
| Title of publication | Efficient strategy for construction of 6-carbamoylfulvene-6-carboxylate skeletons via [3 + 2] cycloaddition of 1-cyanocyclopropane 1-ester with β-nitrostyrenes |
| Authors of publication | Tan, Chen; Ye, Weijian; Yao, Juan; Liu, Juanjuan; Xue, Shuwen; Li, Yang; Wang, Cunde |
| Journal of publication | RSC Advances |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 34 |
| Pages of publication | 26491 |
| a | 8.6087 ± 0.001 Å |
| b | 12.0564 ± 0.0013 Å |
| c | 13.9281 ± 0.0015 Å |
| α | 108.468 ± 0.003° |
| β | 104.708 ± 0.003° |
| γ | 94.122 ± 0.003° |
| Cell volume | 1307.8 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0933 |
| Residual factor for significantly intense reflections | 0.0514 |
| Weighted residual factors for significantly intense reflections | 0.1409 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7235890.cif |
| 233738 | 2019-11-23 | cif/ Adding structures of 7235890, 7235891, 7235892 via cif-deposit CGI script. |
7235890.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.