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Information card for entry 2006431
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Coordinates | 2006431.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | N-Dodecanoyl-L-Serine |
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Formula | C15 H31 N O5 |
Calculated formula | C15 H31 N O5 |
SMILES | CCCCCCCCCCCC(=O)N[C@H](C(=O)O)CO.O |
Title of publication | Hydrogen-Bonding Networks Involving Water in Amphiphilic <i>N</i>-Dodecanoyl-<small>L</small>-serine Monohydrate |
Authors of publication | Schade, Boris; Fuhrhop, Jürgen-Hinrich; Hubert, Vera; Weber, Manuela; Luger, Peter |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 8 |
Pages of publication | 1070 - 1073 |
a | 4.934 ± 0.002 Å |
b | 7.422 ± 0.001 Å |
c | 48.561 ± 0.001 Å |
α | 90 ± 0.01° |
β | 90 ± 0.02° |
γ | 90 ± 0.02° |
Cell volume | 1778.3 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0558 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for all reflections | 0.0883 |
Weighted residual factors for significantly intense reflections | 0.0787 |
Goodness-of-fit parameter for all reflections | 1.091 |
Goodness-of-fit parameter for significantly intense reflections | 1.097 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | Ni-filteredCuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2006431.html
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