Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4030541
Preview
Coordinates | 4030541.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cyclopentaisooxazole |
---|---|
Chemical name | (3aR,5R,5aS,6aR,9aR,9bR)-1-benzyl-5-(benzyloxy)-8,8-dimethyloctahydro- [1,3]dioxolo[4'',5'':4',5']furo[3',2':1,5]cyclopenta[1,2-c]isoxazole |
Formula | C25 H29 N O5 |
Calculated formula | C25 H29 N O5 |
Title of publication | Exploitation of in Situ Generated Sugar-Based Olefin Keto-Nitrones: Synthesis of Carbocycles, Heterocycles, and Nucleoside Derivatives. |
Authors of publication | Das, Soumendra Nath; Chowdhury, Arpan; Tripathi, Neha; Jana, Prithwish K.; Mandal, Sukhendu B. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 80 |
Journal issue | 2 |
Pages of publication | 1136 |
a | 9.66 ± 0.002 Å |
b | 10.965 ± 0.002 Å |
c | 10.599 ± 0.002 Å |
α | 90° |
β | 96.916 ± 0.012° |
γ | 90° |
Cell volume | 1114.5 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.1112 |
Weighted residual factors for all reflections included in the refinement | 0.1208 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4030541.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.