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Information card for entry 1546530
Preview
Coordinates | 1546530.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H40 |
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Calculated formula | C40 H40 |
SMILES | c1cc(cc2cc3c4ccccc4c4cc5cc(ccc5c5ccc(c12)c3c45)CCCCCC)CCCCCC |
Title of publication | Synthesis of Dibenzo[h,rst]pentaphenes and Dibenzo[fg,qr]pentacenes by the Chemoselective C‒O Arylation of Dimethoxyanthraquinones |
Authors of publication | Suzuki, Yusuke; Yamada, Kohei; Watanabe, Kentaro; Kochi, Takuya; Ie, Yutaka; Aso, Yoshio; Kakiuchi, Fumitoshi |
Journal of publication | Organic Letters |
Year of publication | 2017 |
a | 9.7034 ± 0.0014 Å |
b | 11.4834 ± 0.0018 Å |
c | 12.9123 ± 0.0017 Å |
α | 91.785 ± 0.003° |
β | 100.949 ± 0.003° |
γ | 98.523 ± 0.003° |
Cell volume | 1394.4 ± 0.3 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1086 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1744 |
Weighted residual factors for all reflections included in the refinement | 0.2128 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1546530.html
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Users of the data should acknowledge the original authors of the
structural data.