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Information card for entry 7237401
Preview
| Coordinates | 7237401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H15 N5 S |
|---|---|
| Calculated formula | C18 H15 N5 S |
| Title of publication | Terahertz radiation and second-harmonic generation from a single-component polar organic ferroelectric crystal |
| Authors of publication | Venkataramudu, Uppari; Sahoo, Chakradhar; Leelashree, Solaiappan; Venkatesh, Mottamchetty; Ganesh, Damarla; Naraharisetty, Sri Ram Gopal; Chaudhary, Anil Kumar; Srinath, Sanyadanam; Chandrasekar, Rajadurai |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2018 |
| Journal volume | 6 |
| Journal issue | 35 |
| Pages of publication | 9330 |
| a | 12.8855 ± 0.0004 Å |
| b | 12.8855 ± 0.0004 Å |
| c | 19.6018 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3254.6 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.0374 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7237401.cif |
| 237646 | 2019-11-24 | cif/ Adding structures of 7237401 via cif-deposit CGI script. |
7237401.cif |
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Users of the data should acknowledge the original authors of the
structural data.