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Information card for entry 4123384
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Coordinates | 4123384.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | D-pyroglutamic acid |
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Formula | C5 H7 N O3 |
Calculated formula | C5 H7 N O3 |
SMILES | OC(=O)[C@H]1NC(=O)CC1 |
Title of publication | Perpetually self-propelling chiral single crystals. |
Authors of publication | Panda, Manas K.; Runčevski, Tomče; Husain, Ahmad; Dinnebier, Robert E.; Naumov, Panče |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 5 |
Pages of publication | 1895 - 1902 |
a | 9.0379 ± 0.0009 Å |
b | 13.4729 ± 0.0014 Å |
c | 14.6797 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1787.5 ± 0.3 Å3 |
Cell temperature | 331 ± 2 K |
Ambient diffraction temperature | 331 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0652 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1068 |
Weighted residual factors for all reflections included in the refinement | 0.1155 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4123384.html
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