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Information card for entry 7212262
Preview
Coordinates | 7212262.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H38 N2 O5 |
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Calculated formula | C24 H30 N2 O3 |
SMILES | O=C(N(c1ccccc1)C1CC[NH+](CC1)CCc1ccccc1)CCCC(=O)[O-] |
Title of publication | Proton sharing and transfer in some zwitterionic compounds based on 4-oxo-4-((1-phenethylpiperidin-4-yl)(phenyl)amino)alcanoic acids |
Authors of publication | Nichol, Gary S.; Kumirov, Vlad K.; Vardanyan, Ruben; Hruby, Victor J. |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 11 |
Pages of publication | 3651 |
a | 9.3005 ± 0.0004 Å |
b | 9.7222 ± 0.0005 Å |
c | 14.423 ± 0.0007 Å |
α | 78.622 ± 0.004° |
β | 75.813 ± 0.003° |
γ | 74.623 ± 0.003° |
Cell volume | 1206.84 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0639 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7212262.html
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