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Information card for entry 4038946
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Coordinates | 4038946.cif |
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Original paper (by DOI) | HTML |
Chemical name | 6,6',6'',6'''-[6,12-dihydroindeno[1,2-b]fluorene -6,6,12,12-tetrayltetrakis(4,1-phenylene)] tetrakis(1,3,5-triazine-2,4-diamine) 1,4-dioxane solvate dimethyl sulfoxide solvate |
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Formula | C108 H162 N20 O26 S8 |
Calculated formula | C108 H162 N20 O26 S8 |
Title of publication | Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes. |
Authors of publication | Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 16 |
Pages of publication | 8536 - 8547 |
a | 11.154 ± 0.0005 Å |
b | 14.2902 ± 0.0006 Å |
c | 19.7538 ± 0.0009 Å |
α | 100.214 ± 0.002° |
β | 90.119 ± 0.002° |
γ | 95.774 ± 0.002° |
Cell volume | 3082.4 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1664 |
Residual factor for significantly intense reflections | 0.1488 |
Weighted residual factors for significantly intense reflections | 0.4111 |
Weighted residual factors for all reflections included in the refinement | 0.4329 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.796 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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