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Information card for entry 4115311
Preview
Coordinates | 4115311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H27 N3 O8 |
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Calculated formula | C22 H27 N3 O8 |
SMILES | N(=O)(=O)c1ccccc1.[C@]12(CC[C@]3(C(=O)NC(CC23)(C)NC1=O)C(=O)OCC)C(=O)OCC |
Title of publication | The Bicyclic N,N'-Diacylaminal: A New Motif for Molecular Self-Assembly |
Authors of publication | Robert B. Grossman; Kazuyuki Hattori; Sean Parkin; Brian O. Patrick; Melissa A. Varner |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 13686 - 13687 |
a | 9.631 ± 0.0004 Å |
b | 18.905 ± 0.0007 Å |
c | 25.17 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4582.8 ± 0.3 Å3 |
Cell temperature | 90 ± 0.2 K |
Ambient diffraction temperature | 90 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.107 |
Residual factor for significantly intense reflections | 0.0612 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0999 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
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/4115311.html
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