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Information card for entry 4122666
Preview
Coordinates | 4122666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H29 N |
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Calculated formula | C31 H29 N |
SMILES | N1(/C=C/c2ccccc2)CCCC1C(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Structures and Reactivities of 2-Trityl- and 2-(Triphenylsilyl)pyrrolidine-Derived Enamines: Evidence for Negative Hyperconjugation with the Trityl Group. |
Authors of publication | Erdmann, Hannes; An, Feng; Mayer, Peter; Ofial, Armin R.; Lakhdar, Sami; Mayr, Herbert |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14263 |
a | 12.6369 ± 0.0018 Å |
b | 16.656 ± 0.002 Å |
c | 10.926 ± 0.0017 Å |
α | 90° |
β | 96.734 ± 0.004° |
γ | 90° |
Cell volume | 2283.8 ± 0.6 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1235 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.1448 |
Weighted residual factors for all reflections included in the refinement | 0.1727 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
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/4122666.html
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