Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503468
Preview
Coordinates | 1503468.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H26 N2 O5 |
---|---|
Calculated formula | C25 H26 N2 O5 |
SMILES | [C@H]1(N([C@H](Cc2c3ccccc3[nH]c12)C(=O)OC)Cc1ccccc1)CC(=O)CC(=O)OC |
Title of publication | Brønsted Acid mediated cyclization of enaminones. Rapid and efficient access to the tetracyclic framework of the strychnos alkaloids. |
Authors of publication | Edwankar, Rahul V.; Edwankar, Chitra R.; Namjoshi, Ojas A.; Deschamps, Jeffrey R.; Cook, James M. |
Journal of publication | Journal of natural products |
Year of publication | 2012 |
Journal volume | 75 |
Journal issue | 2 |
Pages of publication | 181 - 188 |
a | 7.9956 ± 0.0008 Å |
b | 12.2939 ± 0.0013 Å |
c | 11.3263 ± 0.0011 Å |
α | 90° |
β | 91.511 ± 0.002° |
γ | 90° |
Cell volume | 1112.96 ± 0.19 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 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 | 0.0457 |
Residual factor for significantly intense reflections | 0.0395 |
Weighted residual factors for significantly intense reflections | 0.1059 |
Weighted residual factors for all reflections included in the refinement | 0.1118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/1503468.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.