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Information card for entry 4078831
Preview
Coordinates | 4078831.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H38 N2 O7 Si |
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Calculated formula | C24 H38 N2 O7 Si |
SMILES | C[Si](C)(C)C[C@](C(=O)OC)(C)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C |
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 | 11.8973 ± 0.0011 Å |
b | 11.2852 ± 0.0017 Å |
c | 21.447 ± 0.002 Å |
α | 90° |
β | 100.233 ± 0.012° |
γ | 90° |
Cell volume | 2833.7 ± 0.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0891 |
Residual factor for significantly intense reflections | 0.0404 |
Weighted residual factors for significantly intense reflections | 0.0892 |
Weighted residual factors for all reflections included in the refinement | 0.106 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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