Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573709
Preview
Coordinates | 1573709.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H14 N4 O S |
---|---|
Calculated formula | C14 H14 N4 O S |
Title of publication | Thiosemicarbazones as versatile photoswitches with light-controllable supramolecular activity. |
Authors of publication | Sentürk, Bengi; Butschke, Burkhard; Eisenreich, Fabian |
Journal of publication | Chemical science |
Year of publication | 2025 |
Journal volume | 16 |
Journal issue | 7 |
Pages of publication | 3130 - 3140 |
a | 6.643 ± 0.006 Å |
b | 7.435 ± 0.007 Å |
c | 28.49 ± 0.03 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1407 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Weighted residual factors for all reflections included in the refinement | 0.0797 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
298138 (current) | 2025-03-04 | cif/ Updating files of 1573706, 1573707, 1573708, 1573709, 1573710, 1573711, 1573712 Original log message: Adding full bibliography for 1573706--1573712.cif. |
1573709.cif |
297368 | 2025-01-18 | cif/ Adding structures of 1573706, 1573707, 1573708, 1573709, 1573710, 1573711, 1573712 via cif-deposit CGI script. |
1573709.cif |
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.