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Information card for entry 4501604
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Coordinates | 4501604.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H13 N O2 |
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Calculated formula | C6 H13 N O2 |
SMILES | [O-]C(=O)C([NH3+])CC(C)C |
Title of publication | Observation of the Preferential Enrichment Phenomenon for Essential α-Amino Acids with a Racemic Crystal Structure |
Authors of publication | Iwama, Sekai; Horiguchi, Masahiro; Sato, Hiroyasu; Uchida, Yoshiaki; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 6 |
Pages of publication | 2668 |
a | 13.9853 ± 0.0015 Å |
b | 5.3995 ± 0.0014 Å |
c | 5.154 ± 0.004 Å |
α | 111.471 ± 0.006° |
β | 96.76 ± 0.008° |
γ | 86.579 ± 0.007° |
Cell volume | 359.6 ± 0.3 Å3 |
Cell temperature | 296.1 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0783 |
Weighted residual factors for all reflections included in the refinement | 0.2338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.126 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4501604.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4501604.cif |
35986 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4501604 via cif-deposit CGI script. |
4501604.cif |
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Users of the data should acknowledge the original authors of the
structural data.