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Information card for entry 7132771
Preview
Coordinates | 7132771.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26.68 H32.49 N6 O1.56 |
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Calculated formula | C26.686 H32.496 N6 O1.562 |
Title of publication | Growth "self-inhibition" of irbesartan desmotrope: surface intra-annular tautomer inter-conversion is the culprit. |
Authors of publication | Kang, Xiang; Zhang, Mingtao; Tang, Weiwei; Gong, Junbo |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 26 |
Pages of publication | 3511 - 3514 |
a | 37.3204 ± 0.0019 Å |
b | 37.3204 ± 0.0019 Å |
c | 9.7227 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 11727.6 ± 1.1 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.1628 |
Weighted residual factors for all reflections included in the refinement | 0.1719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7132771.html
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structural data.