Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7117329
Preview
Coordinates | 7117329.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H25 N O7 |
---|---|
Calculated formula | C28 H25 N O7 |
SMILES | OCC.O(C(=O)[C@@]1(OC[C@@H](N(c2ccccc2O)[C@@H]1c1ccccc1)CC(=O)O)c1ccccc1)C.OCC.O(C(=O)[C@]1(OC[C@H](N(c2ccccc2O)[C@H]1c1ccccc1)CC(=O)O)c1ccccc1)C |
Title of publication | Divergent synthesis of chiral heterocycles via sequencing of enantioselective three-component reactions and one-pot subsequent cyclization reactions |
Authors of publication | Min Tang; Dong Xing; Haoxi Huang; Wenhao Hu |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 10612 |
a | 9.1316 ± 0.0014 Å |
b | 11.5658 ± 0.0017 Å |
c | 12.884 ± 0.002 Å |
α | 87.471 ± 0.005° |
β | 84.937 ± 0.005° |
γ | 78.96 ± 0.005° |
Cell volume | 1329.8 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.074 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.125 |
Weighted residual factors for all reflections included in the refinement | 0.1464 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/7117329.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.