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Information card for entry 8102319
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Coordinates | 8102319.cif |
---|
Formula | C32 H30 N2 O10 S4 |
---|---|
Calculated formula | C32 H30 N2 O10 S4 |
Title of publication | Crystal structure of 5,17-dinitro-25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiacalix[4]arene - tetrahydrofuran (1:2), C24H14N2O8S4 · 2C4H8O |
Authors of publication | Xiao-Jun Hu; Xiao Liu; Pin Zhang; Tie-Heng Sun |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2008 |
Journal volume | 223 |
Journal issue | 4 |
Pages of publication | 393 |
a | 14.7427 ± 0.0014 Å |
b | 18.8971 ± 0.0018 Å |
c | 11.8151 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3291.6 ± 0.7 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0838 |
Residual factor for significantly intense reflections | 0.0508 |
Weighted residual factors for significantly intense reflections | 0.1179 |
Weighted residual factors for all reflections included in the refinement | 0.1484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/8102319.html
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