Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4034928
Preview
Coordinates | 4034928.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 N4 O4 |
---|---|
Calculated formula | C23 H26 N4 O4 |
SMILES | c1(cc(cn1C)N(C(=O)c1ccc(cc1)N(C(=O)c1cccn1C)C)C)C(=O)OCC |
Title of publication | Conformational Properties of Aromatic Oligoamides Bearing Pyrrole Rings. |
Authors of publication | Tojo, Yukiko; Urushibara, Ko; Yamamoto, Sawori; Mori, Hirotoshi; Masu, Hyuma; Kudo, Mayumi; Hirano, Tomoya; Azumaya, Isao; Kagechika, Hiroyuki; Tanatani, Aya |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 8 |
Pages of publication | 4606 - 4617 |
a | 11.3381 ± 0.0006 Å |
b | 7.2556 ± 0.0004 Å |
c | 26.5552 ± 0.0015 Å |
α | 90° |
β | 102.097 ± 0.001° |
γ | 90° |
Cell volume | 2136 ± 0.2 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0527 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1116 |
Weighted residual factors for all reflections included in the refinement | 0.1179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
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/4034928.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.