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Information card for entry 4518227
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Coordinates | 4518227.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H54 Ca2 O36 |
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Calculated formula | C46 H54 Ca2 O36 |
Title of publication | Design of Potential Pharmaceutical-Based Metal Complexes Derived from Cromolyn a Mast Cell Stabilizer |
Authors of publication | Rodríguez, Israel; Flores Bello, Jeaninna; Marie Serrano Valcárcel, Joyce; López-Mejías, Vilmalí |
Journal of publication | ACS Omega |
Year of publication | 2020 |
Journal volume | 5 |
Journal issue | 46 |
Pages of publication | 29714 - 29721 |
a | 7.0293 ± 0.0003 Å |
b | 29.2917 ± 0.0007 Å |
c | 12.7862 ± 0.0004 Å |
α | 90° |
β | 99.495 ± 0.003° |
γ | 90° |
Cell volume | 2596.61 ± 0.15 Å3 |
Cell temperature | 100.01 ± 0.1 K |
Ambient diffraction temperature | 100.01 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0872 |
Residual factor for significantly intense reflections | 0.0791 |
Weighted residual factors for significantly intense reflections | 0.1913 |
Weighted residual factors for all reflections included in the refinement | 0.1969 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518227.html
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Users of the data should acknowledge the original authors of the
structural data.