Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032269
Preview
Coordinates | 4032269.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 N4 O3 S |
---|---|
Calculated formula | C27 H26 N4 O3 S |
SMILES | S(=O)(=O)(N1c2ccccc2[C@@]2(C(=O)NCC2)[C@]23c4c(N[C@]12NCC3)cccc4)c1ccc(cc1)C.S(=O)(=O)(N1c2ccccc2[C@]2(C(=O)NCC2)[C@@]23c4c(N[C@@]12NCC3)cccc4)c1ccc(cc1)C |
Title of publication | An Efficient Synthesis of (±)-Dehaloperophoramidine. |
Authors of publication | Hoang, Anita; Popov, Kirill; Somfai, Peter |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 4 |
Pages of publication | 2171 - 2176 |
a | 27.622 ± 0.008 Å |
b | 27.622 ± 0.008 Å |
c | 19.122 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 12635 ± 5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.2216 |
Residual factor for significantly intense reflections | 0.0905 |
Weighted residual factors for significantly intense reflections | 0.152 |
Weighted residual factors for all reflections included in the refinement | 0.1655 |
Goodness-of-fit parameter for significantly intense reflections | 3.36 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.94 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.7107 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/4032269.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.