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Information card for entry 4031840
Preview
Coordinates | 4031840.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C141.75 H124.5 Cl2.5 O0.5 |
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Calculated formula | C141.75 H124.5 Cl2.5 O0.5001 |
Title of publication | Modular Synthesis of Aromatic Hydrocarbon Macrocycles for Simplified, Single-Layer Organic Light-Emitting Devices. |
Authors of publication | Ikemoto, Koki; Yoshii, Asami; Izumi, Tomoo; Taka, Hideo; Kita, Hiroshi; Xue, Jing Yang; Kobayashi, Ryo; Sato, Sota; Isobe, Hiroyuki |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 2 |
Pages of publication | 662 - 666 |
a | 48.644 ± 0.006 Å |
b | 13.8778 ± 0.001 Å |
c | 32.023 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 21618 ± 4 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 4 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1234 |
Weighted residual factors for all reflections included in the refinement | 0.1246 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4031840.html
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