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Information card for entry 4078826
Preview
Coordinates | 4078826.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H36 N2 O6 Si |
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Calculated formula | C17 H36 N2 O6 Si |
SMILES | C[Si](C)(C)C[C@](C(=O)OC)(C)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC(C)(C)C.O |
Title of publication | Silicon-Containing Dipeptidic Aspartame and Neotame Analogues |
Authors of publication | Dörrich, Steffen; Falgner, Steffen; Schweeberg, Sarah; Burschka, Christian; Brodin, Peter; Wissing, Britt Marie; Basta, Babro; Schell, Peter; Bauer, Udo; Tacke, Reinhold |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 16 |
Pages of publication | 5903 |
a | 13.1285 ± 0.001 Å |
b | 6.5496 ± 0.0005 Å |
c | 13.9228 ± 0.001 Å |
α | 90° |
β | 101.227 ± 0.003° |
γ | 90° |
Cell volume | 1174.26 ± 0.15 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0303 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0768 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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