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Information card for entry 1503736
Preview
Coordinates | 1503736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H32 |
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Calculated formula | C44 H32 |
SMILES | c12cccc3cc4cccc(c4c(c13)CCCC)C#CC#Cc1cccc3cc4cccc(c4c(c13)CCCC)C#CC#C2 |
Title of publication | Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers. |
Authors of publication | Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 2 |
Pages of publication | 321 - 324 |
a | 11.1772 ± 0.0007 Å |
b | 11.9076 ± 0.0014 Å |
c | 13.265 ± 0.003 Å |
α | 72.87 ± 0.012° |
β | 72.915 ± 0.014° |
γ | 68.027 ± 0.009° |
Cell volume | 1530.7 ± 0.4 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 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 | 0.1319 |
Residual factor for significantly intense reflections | 0.0586 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1344 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.71069 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/1503736.html
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Users of the data should acknowledge the original authors of the
structural data.