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Information card for entry 4128689
Preview
Coordinates | 4128689.cif |
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Original paper (by DOI) | HTML |
Formula | C149 H121.5 Cl7.5 N2 O8 |
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Calculated formula | C148.994 H121.495 Cl7.499 N2 O8 |
Title of publication | Lemniscular [16]Cycloparaphenylene: A Radially Conjugated Figure-Eight Aromatic Molecule. |
Authors of publication | Senthilkumar, Kabali; Kondratowicz, Mateusz; Lis, Tadeusz; Chmielewski, Piotr J.; Cybińska, Joanna; Zafra, José L; Casado, Juan; Vives, Thomas; Crassous, Jeanne; Favereau, Ludovic; Stępień, Marcin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 18 |
Pages of publication | 7421 - 7427 |
a | 14.638 ± 0.003 Å |
b | 21.545 ± 0.005 Å |
c | 21.633 ± 0.005 Å |
α | 115.86 ± 0.03° |
β | 91.04 ± 0.02° |
γ | 101.68 ± 0.02° |
Cell volume | 5968 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1021 |
Residual factor for significantly intense reflections | 0.0708 |
Weighted residual factors for significantly intense reflections | 0.1797 |
Weighted residual factors for all reflections included in the refinement | 0.2063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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