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Information card for entry 8107246
Preview
Coordinates | 8107246.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H107 K2 N11 O12 |
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Calculated formula | C56 H107 K2 N11 O12 |
Title of publication | Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ 6O6)potassium(2-methylphenylamino)ethyl-2-methylphenylamide ammoniate (1/3.5), [K(18-crown-6)](o-CH3C6H4)NH(CH2)2N(o-CH3C6H4) 3.5 NH3, C28H53.5KN5.5O6 |
Authors of publication | Wallach, Christoph; Klein, Wilhelm; Fässler, Thomas F. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2022 |
Journal volume | 237 |
Journal issue | 5 |
Pages of publication | 897 - 901 |
a | 18.7986 ± 0.0012 Å |
b | 8.3431 ± 0.0006 Å |
c | 22.4638 ± 0.0016 Å |
α | 90° |
β | 100.554 ± 0.005° |
γ | 90° |
Cell volume | 3463.6 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.0997 |
Residual factor for significantly intense reflections | 0.0712 |
Weighted residual factors for significantly intense reflections | 0.1815 |
Weighted residual factors for all reflections included in the refinement | 0.2226 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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