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Information card for entry 7243257
Preview
Coordinates | 7243257.cif |
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Original paper (by DOI) | HTML |
Chemical name | L-Phe.H2O2.0.5H2O |
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Formula | C9 H14 N O4.5 |
Calculated formula | C9 H14 N O4.5 |
Title of publication | Efficient capturing of hydrogen peroxide in dilute aqueous solution by co-crystallization with amino acids |
Authors of publication | Yamaguchi, Ryota; Tanaka, Rika; Maetani, Mayu; Tabe, Hiroyasu; Yamada, Yusuke |
Journal of publication | CrystEngComm |
Year of publication | 2021 |
Journal volume | 23 |
Journal issue | 32 |
Pages of publication | 5456 - 5462 |
a | 9.9671 ± 0.0003 Å |
b | 7.2 ± 0.0003 Å |
c | 14.1385 ± 0.0006 Å |
α | 90° |
β | 92.803 ± 0.003° |
γ | 90° |
Cell volume | 1013.41 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0529 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1325 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
268648 (current) | 2021-09-06 | cif/ Updating files of 7243257, 7243258, 7243259, 7243260 Original log message: Adding full bibliography for 7243257--7243260.cif. |
7243257.cif |
267712 | 2021-07-23 | cif/ Adding structures of 7243257, 7243258, 7243259, 7243260 via cif-deposit CGI script. |
7243257.cif |
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Users of the data should acknowledge the original authors of the
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