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Information card for entry 8106771
Preview
Coordinates | 8106771.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H42 N8 O3 |
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Calculated formula | C36 H40 N8 O3 |
Title of publication | The crystal structure of (4E,11E,31E,38E)-1,4,12,15,18,26,31,39-Octaaza-7,21,24-trihydroxy-penta-cyclo[13·13·13·16,10·120,24·133,37]tetratetraconta-4,6(44),7,9,11,18,20(43),21,23,25,31,33(42),34,36,38-pentadecaene, C36H42N8O3 |
Authors of publication | Zhang, Hui; Cao, Xin; Zhang, Bingguang; Liu, Yuhai |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2016 |
Journal volume | 231 |
Journal issue | 1 |
Pages of publication | 13 - 15 |
a | 30.732 ± 0.002 Å |
b | 30.732 ± 0.002 Å |
c | 18.6315 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 15239.1 ± 1.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.1102 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.1315 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.815 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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