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Information card for entry 7238283
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Coordinates | 7238283.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | N,N,N',N'-tetraacetyl-1,8-diaminooctane |
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Formula | C16 H28 N2 O4 |
Calculated formula | C16 H28 N2 O4 |
Title of publication | Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates |
Authors of publication | Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar |
Journal of publication | CrystEngComm |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 10 |
Pages of publication | 3218 |
a | 20.0183 ± 0.0005 Å |
b | 4.543 ± 0.0001 Å |
c | 20.597 ± 0.0005 Å |
α | 90° |
β | 110.986 ± 0.001° |
γ | 90° |
Cell volume | 1748.91 ± 0.07 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0501 |
Residual factor for significantly intense reflections | 0.0424 |
Weighted residual factors for significantly intense reflections | 0.1351 |
Weighted residual factors for all reflections included in the refinement | 0.1408 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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