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Information card for entry 2238804
Preview
Coordinates | 2238804.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 3,14-Diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dichloride tetrahydrate |
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Formula | C22 H54 Cl2 N4 O4 |
Calculated formula | C22 H54 Cl2 N4 O4 |
Title of publication | 3,14-Diethyl-2,13-diaza-6,17-diazoniatricyclo[16.4.0.0^7,12^]docosane dichloride tetrahydrate from synchrotron radiation |
Authors of publication | Moon, Dohyun; Subhan, Md Abdus; Choi, Jong-Ha |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 11 |
Pages of publication | o1620 |
a | 22.122 ± 0.004 Å |
b | 13.616 ± 0.003 Å |
c | 10.565 ± 0.002 Å |
α | 90° |
β | 115.23 ± 0.03° |
γ | 90° |
Cell volume | 2878.7 ± 1.2 Å3 |
Cell temperature | 95 ± 2 K |
Ambient diffraction temperature | 95 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0308 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.078 |
Weighted residual factors for all reflections included in the refinement | 0.079 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.72 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2238804.html
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