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Information card for entry 7213352
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Coordinates | 7213352.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | L-PGHCl |
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Chemical name | L-enylglycine hydrochloride |
Formula | C8 H10 Cl N O2 |
Calculated formula | C8 H10 Cl N O2 |
SMILES | [Cl-].O=C(O)[C@@H]([NH3+])c1ccccc1 |
Title of publication | Crystal structure‒solubility relationships in optical resolution by diastereomeric salt formation of DL-phenylglycine with (1S )-(+)-camphor-10-sulfonic acid |
Authors of publication | Yoshioka, Ryuzo; Hiramatsu, Hajime; Okamura, Kimio; Tsujioka, Ikuko; Yamada, Shin-ichi |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2000 |
Journal issue | 10 |
Pages of publication | 2121 |
a | 7.261 ± 0.001 Å |
b | 22.781 ± 0.002 Å |
c | 5.438 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 899.5 ± 0.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
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 | 0.027 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.1022 |
Weighted residual factors for all reflections included in the refinement | 0.103 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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