Information card for entry 3000559
| Formula |
C17.34 H18.5 N4.17 O7.5 |
| Calculated formula |
C17.337 H18.5055 N4.1685 O7.5 |
| Title of publication |
Tuning of a Hydrogen-Bonded Organic Framework by Liquid-Assisted Mechanosynthesis between Trans-Aconitic Acid and Isonicotinamide |
| Authors of publication |
Gogoi, Diptajyoti; Sasaki, Toshiyuki; Kalita, Nabadeep; Sethi, Tapaswini; Ichiyanagi, Kouhei; Nakane, Takanori; Kawamoto, Akihiro; Das, Dinabandhu; Kurisu, Genji; Thakuria, Ranjit |
| Journal of publication |
Chemistry A European Journal |
| Year of publication |
2025 |
| Journal volume |
31 |
| Pages of publication |
e202403427(1) - e202403427(10) |
| a |
6.9875 ± 0.0001 Å |
| b |
15.1552 ± 0.0003 Å |
| c |
19.5219 ± 0.0004 Å |
| α |
78.119 ± 0.002° |
| β |
84.652 ± 0.002° |
| γ |
88.58 ± 0.002° |
| Cell volume |
2014.18 ± 0.07 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0694 |
| Residual factor for significantly intense reflections |
0.0667 |
| Weighted residual factors for significantly intense reflections |
0.1886 |
| Weighted residual factors for all reflections included in the refinement |
0.1916 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.036 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
0.812 Å |
| Diffraction radiation type |
synchrotron |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/3000559.html
