Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1555902
Preview
| Coordinates | 1555902.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 |
|---|---|
| Calculated formula | C23 H26 |
| SMILES | C1(=CCCC(C(=C1c1ccccc1)CC)CC)c1ccccc1 |
| Title of publication | Formation of Seven-Membered Carbocycles via 7-endo Mode Cyclization of Lithioheptatrienes. |
| Authors of publication | Kanno, Ken-Ichiro; Igarashi, Eri; Mizukami, Yuki; Nakajima, Kiyohiko; Song, Zhiyi; Takahashi, Tamotsu |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 24 |
| Pages of publication | 6217 - 6219 |
| a | 6.13 ± 0.0003 Å |
| b | 9.435 ± 0.0004 Å |
| c | 17.3238 ± 0.0008 Å |
| α | 79.085 ± 0.002° |
| β | 82.396 ± 0.002° |
| γ | 67.34 ± 0.002° |
| Cell volume | 905.93 ± 0.07 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1067 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1215 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239228 (current) | 2019-11-24 | cif/ Adding structures of 1555902 via cif-deposit CGI script. |
1555902.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.