Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7159106
Preview
Coordinates | 7159106.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H40 O6 S2 |
---|---|
Calculated formula | C46 H40 O6 S2 |
Title of publication | Tandem <i>C</i>- and <i>O</i>-alkylative annulation of β-ketosulfones with 1,2-bisbromomethyl arenes: one-pot construction of sulfonyl indanes and dioxadibenzofused macrocycles. |
Authors of publication | Hsueh, Nai-Chen; Chen, Kuan-Ting; Chang, Meng-Yang |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2023 |
Journal volume | 21 |
Journal issue | 7 |
Pages of publication | 1487 - 1500 |
a | 9.7982 ± 0.0003 Å |
b | 13.2829 ± 0.0004 Å |
c | 16.3495 ± 0.0004 Å |
α | 113.228 ± 0.002° |
β | 99 ± 0.002° |
γ | 97.42 ± 0.002° |
Cell volume | 1888.14 ± 0.1 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0429 |
Residual factor for significantly intense reflections | 0.0367 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1005 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7159106.html
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.