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Information card for entry 8107202
Preview
Coordinates | 8107202.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H22 N Na O12 S |
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Calculated formula | C21 H22 N Na O12 S |
Title of publication | Synthesis and crystal structure of poly[aqua(μ4-(1R,2S,4R)-4-hydroxy-1-((7-hydroxy-3-(4-hydroxy-3-sulfonatophenyl)-4-oxo-4H-chromen-8-yl)methyl)pyrrolidin-1-ium-2-carboxylate-κ4 O:O′:O″:O‴)sodium(I)] monohydrate, C21H22NNaO12S |
Authors of publication | Chen, Hai-Lin; Huang, Xiu-Xiang; Lan, Jian-Jing; Yao, Dong-Mei; Wang, Yan-Ping; Liu, Qiu-Ping |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 4 |
Pages of publication | 733 - 735 |
a | 7.685 ± 0.0001 Å |
b | 10.803 ± 0.0001 Å |
c | 25.9262 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2152.42 ± 0.04 Å3 |
Cell temperature | 100 ± 0.4 K |
Ambient diffraction temperature | 100 ± 0.4 K |
Number of distinct elements | 6 |
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 | 0.0311 |
Residual factor for significantly intense reflections | 0.0309 |
Weighted residual factors for significantly intense reflections | 0.0817 |
Weighted residual factors for all reflections included in the refinement | 0.0818 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
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/8107202.html
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