Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555256
Preview
| Coordinates | 1555256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H30 O4 Si |
|---|---|
| Calculated formula | C21 H30 O4 Si |
| Title of publication | Enyne-2-pyrone [4 + 4]-Photocycloaddition: Sesquiterpene Synthesis and a Low-Temperature Cope Rearrangement. |
| Authors of publication | Khatri, Buddha B.; Sieburth, Scott McN |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 4360 - 4363 |
| a | 15.86 ± 0.003 Å |
| b | 8.9849 ± 0.0015 Å |
| c | 32.138 ± 0.004 Å |
| α | 90° |
| β | 117.571 ± 0.007° |
| γ | 90° |
| Cell volume | 4059.6 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1741 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238429 (current) | 2019-11-24 | cif/ Adding structures of 1555256 via cif-deposit CGI script. |
1555256.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.