Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246200
Preview
| Coordinates | 7246200.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H11 Br O2 |
|---|---|
| Calculated formula | C8 H11 Br O2 |
| Title of publication | Zinc-mediated carboxylations of allylic and propargylic halides in flow: synthesis of β-lactones via subsequent bromolactonization |
| Authors of publication | Sutter, Patrick J.; Kang, Guowei; Vellalath, Sreekumar; Romo, Daniel |
| Journal of publication | RSC Advances |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 6 |
| Pages of publication | 3468 - 3473 |
| a | 25.9184 ± 0.0007 Å |
| b | 5.4615 ± 0.0002 Å |
| c | 13.2419 ± 0.0004 Å |
| α | 90° |
| β | 113.639 ± 0.001° |
| γ | 90° |
| Cell volume | 1717.15 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0224 |
| Residual factor for significantly intense reflections | 0.0217 |
| Weighted residual factors for significantly intense reflections | 0.0533 |
| Weighted residual factors for all reflections included in the refinement | 0.0537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280574 (current) | 2023-01-25 | cif/ Adding structures of 7246200 via cif-deposit CGI script. |
7246200.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.