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Information card for entry 7243258
Preview
Coordinates | 7243258.cif |
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Original paper (by DOI) | HTML |
Chemical name | DL-Phe.H2O2 |
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Formula | C9 H13 N O3.9675 |
Calculated formula | C9 H13 N O3.9675 |
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 | 11.6333 ± 0.0003 Å |
b | 5.9869 ± 0.0001 Å |
c | 28.5029 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1985.15 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0446 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0836 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
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. |
7243258.cif |
267712 | 2021-07-23 | cif/ Adding structures of 7243257, 7243258, 7243259, 7243260 via cif-deposit CGI script. |
7243258.cif |
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Users of the data should acknowledge the original authors of the
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