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Information card for entry 4033948
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Coordinates | 4033948.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C180 H210 Cl24 |
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Calculated formula | C179.998 H209.984 Cl23.998 |
Title of publication | Synthesis, Structures, and Assembly of Geodesic Phenine Frameworks with Isoreticular Networks of [ n]Cyclo- para-phenylenes. |
Authors of publication | Sun, Zhe; Mio, Tatsuru; Ikemoto, Koki; Sato, Sota; Isobe, Hiroyuki |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 6 |
Pages of publication | 3500 - 3507 |
a | 18.83 ± 0.004 Å |
b | 32.96 ± 0.007 Å |
c | 18.84 ± 0.004 Å |
α | 90° |
β | 119.64 ± 0.03° |
γ | 90° |
Cell volume | 10163 ± 5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 11 |
Hermann-Mauguin space group symbol | P 1 21/m 1 |
Hall space group symbol | -P 2yb |
Residual factor for all reflections | 0.1496 |
Residual factor for significantly intense reflections | 0.1387 |
Weighted residual factors for significantly intense reflections | 0.3864 |
Weighted residual factors for all reflections included in the refinement | 0.404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.898 |
Diffraction radiation wavelength | 0.85 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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structural data.