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Information card for entry 4111034
Preview
Coordinates | 4111034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66 H62 O2 |
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Calculated formula | C66 H62 O2 |
SMILES | O(c1ccc(C#Cc2c3C4c5ccccc5C(c5ccccc45)c3c(c3C4c5ccccc5C(c5ccccc45)c23)C#Cc2ccc(OCCCCCCCC)cc2)cc1)CCCCCCCC |
Title of publication | Probing the Intrachain and Interchain Effects on the Fluorescence Behavior of Pentiptycene-Derived Oligo(p-phenyleneethynylene)s |
Authors of publication | Jye-Shane Yang; Jyu-Lun Yan; Chung-Yu Hwang; Shih-Yi Chiou; Kang-Ling Liau; Hui-Hsu Gavin Tsai; Gene-Hsiang Lee; Shie-Ming Peng |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2006 |
Journal volume | 128 |
Pages of publication | 14109 - 14119 |
a | 10.9408 ± 0.0008 Å |
b | 11.0503 ± 0.0008 Å |
c | 11.3483 ± 0.0008 Å |
α | 104.682 ± 0.002° |
β | 94.383 ± 0.002° |
γ | 109.87 ± 0.002° |
Cell volume | 1228.1 ± 0.16 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1201 |
Residual factor for significantly intense reflections | 0.0539 |
Weighted residual factors for significantly intense reflections | 0.0966 |
Weighted residual factors for all reflections included in the refinement | 0.1092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4111034.html
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Users of the data should acknowledge the original authors of the
structural data.