Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7204579
Preview
Coordinates | 7204579.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1-pyrrolylNN |
---|---|
Formula | C11 H16 N3 O2 |
Calculated formula | C11 H16 N3 O2 |
SMILES | O=[N]1C(n2cccc2)=N(=O)C(C1(C)C)(C)C |
Title of publication | Design and preparation of pyrrole-based spin-polarized donors |
Authors of publication | Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada |
Journal of publication | J. Mater. Chem. |
Year of publication | 2003 |
Journal volume | 13 |
Journal issue | 5 |
Pages of publication | 1011 - 1022 |
a | 9.8453 ± 0.0016 Å |
b | 16.53 ± 0.003 Å |
c | 7.2587 ± 0.0009 Å |
α | 90° |
β | 96.531 ± 0.011° |
γ | 90° |
Cell volume | 1173.6 ± 0.3 Å3 |
Cell temperature | 298.2 K |
Ambient diffraction temperature | 298.2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0783 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.1241 |
Weighted residual factors for all reflections included in the refinement | 0.1335 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71069 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/7204579.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.