Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1508737
Preview
Coordinates | 1508737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H27 N3 O3 |
---|---|
Calculated formula | C28 H27 N3 O3 |
SMILES | O1N(CC(=C2CN(OCC12)c1ccccc1)C1=CCON(C1)c1ccccc1)c1ccccc1 |
Title of publication | Nitroso-dienophile additions to dendralenes: a short synthesis of branched aminosugars. |
Authors of publication | Wang, Ruomeng; Bojase, Gomotsang; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S. |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 22 |
Pages of publication | 5652 - 5655 |
a | 9.9709 ± 0.0006 Å |
b | 10.7612 ± 0.0009 Å |
c | 13.1112 ± 0.0011 Å |
α | 105.781 ± 0.003° |
β | 100.075 ± 0.004° |
γ | 115.216 ± 0.004° |
Cell volume | 1154.44 ± 0.17 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.1054 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for all reflections | 0.1429 |
Weighted residual factors for significantly intense reflections | 0.1199 |
Weighted residual factors for all reflections included in the refinement | 0.1429 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9562 |
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/1508737.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.