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Information card for entry 1505870
Preview
Coordinates | 1505870.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H34 |
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Calculated formula | C30 H34 |
SMILES | CCCCCCC#Cc1c2ccccc2c(c2c1cccc2)C#CCCCCCC |
Title of publication | Synthesis and characterization of soluble oligo (9,10-bisalkynylanthrylene)s. |
Authors of publication | Cui, Weibin; Zhang, Xiaojie; Jiang, Xiaoxia; Tian, Hongkun; Yan, Donghang; Geng, Yanhou; Jing, Xiabin; Wang, Fosong |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 4 |
Pages of publication | 785 - 788 |
a | 7.7874 ± 0.0007 Å |
b | 9.2435 ± 0.0009 Å |
c | 9.3529 ± 0.0009 Å |
α | 108.87 ± 0.002° |
β | 107.825 ± 0.002° |
γ | 95.669 ± 0.002° |
Cell volume | 591.68 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0639 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1439 |
Weighted residual factors for all reflections included in the refinement | 0.1598 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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