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Information card for entry 4029932
Preview
Coordinates | 4029932.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H36 Br2 N4 O2 |
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Calculated formula | C26 H36 Br2 N4 O2 |
SMILES | c1(cccc(c1)Cn1c[n+](cc1)[C@@H]1[C@H](CCCC1)O)Cn1c[n+](cc1)[C@@H]1[C@H](CCCC1)O.[Br-].[Br-] |
Title of publication | Chiral imidazolium receptors for citrate and malate: the importance of the preorganization. |
Authors of publication | Faggi, Enrico; Porcar, Raúl; Bolte, Michael; Luis, Santiago V.; García-Verdugo, Eduardo; Alfonso, Ignacio |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 19 |
Pages of publication | 9141 - 9149 |
a | 23.4217 ± 0.0018 Å |
b | 7.2389 ± 0.0004 Å |
c | 8.3178 ± 0.0006 Å |
α | 90° |
β | 110.206 ± 0.006° |
γ | 90° |
Cell volume | 1323.47 ± 0.17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0406 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/4029932.html
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