Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028641
Preview
Coordinates | 4028641.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H37 Ba Cl3 N2 O18 S |
---|---|
Calculated formula | C26 H37 Ba Cl3 N2 O18 S |
Title of publication | Synthesis, Structure, and Characterization of Chromo(fluoro)ionophores with Cation-Triggered Emission Based on N-Methylaza-Crown-Ether Styryl Dyes |
Authors of publication | Sergey P. Gromov; Svetlana N. Dmitrieva; Artem I. Vedernikov; Nikolay A. Kurchavov; Lyudmila G. Kuz'mina; Sergey K. Sazonov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Evgeny N. Ushakov |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9834 - 9847 |
a | 8.7392 ± 0.0008 Å |
b | 12.4179 ± 0.0011 Å |
c | 17.0087 ± 0.0015 Å |
α | 75.226 ± 0.004° |
β | 80.385 ± 0.004° |
γ | 84.548 ± 0.004° |
Cell volume | 1757.1 ± 0.3 Å3 |
Cell temperature | 120 ± 0.2 K |
Ambient diffraction temperature | 120 ± 0.2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1734 |
Residual factor for significantly intense reflections | 0.0885 |
Weighted residual factors for significantly intense reflections | 0.1862 |
Weighted residual factors for all reflections included in the refinement | 0.2162 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
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/4028641.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.