Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4032506
Preview
Coordinates | 4032506.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H25 N O4 |
---|---|
Calculated formula | C24 H25 N O4 |
SMILES | c1ccccc1C(=O)C1=C(c2ccccc2)OC(C(=O)N2C1OCC2(C)C)(C)C |
Title of publication | Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence. |
Authors of publication | El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 11 |
Pages of publication | 5798 - 5809 |
a | 6.1649 ± 0.0002 Å |
b | 11.6215 ± 0.0005 Å |
c | 15.8461 ± 0.0006 Å |
α | 108.224 ± 0.002° |
β | 94.768 ± 0.002° |
γ | 100.713 ± 0.002° |
Cell volume | 1047.35 ± 0.07 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 | 0.0844 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1033 |
Weighted residual factors for all reflections included in the refinement | 0.121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4032506.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.