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Information card for entry 7151425
Preview
Coordinates | 7151425.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 1-Phenyl-2,5-bis(5-(tricyanoethenyl)-2-thienyl)pyrrole/m- dimethoxybenzene complex |
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Formula | C64 H32 N14 O2 S4 |
Calculated formula | C64 H32 N14 O2 S4 |
SMILES | s1c(C(=C(C#N)C#N)C#N)ccc1c1n(c(cc1)c1sc(cc1)C(=C(C#N)C#N)C#N)c1ccccc1.O(c1cc(OC)ccc1)C |
Title of publication | Formation of gold-like metal-lustrous inclusion crystals from 1-phenyl-2,5-bis[5-(tricyanoethenyl)-2-thienyl]pyrrole host and an electron-donating aromatic guest |
Authors of publication | Ogura, Katsuyuki; Zhao, Rui; Mizuoka, Takashi; Akazome, Motohiro; Matsumoto, Shoji |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2003 |
Journal volume | 1 |
Journal issue | 21 |
Pages of publication | 3845 |
a | 12.38 ± 0.007 Å |
b | 27.61 ± 0.02 Å |
c | 16.338 ± 0.01 Å |
α | 90° |
β | 93.22 ± 0.05° |
γ | 90° |
Cell volume | 5576 ± 6 Å3 |
Cell temperature | 298 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.089 |
Residual factor for significantly intense reflections | 0.053 |
Weighted residual factors for all reflections | 0.117 |
Weighted residual factors for significantly intense reflections | 0.11 |
Weighted residual factors for all reflections included in the refinement | 0.111 |
Goodness-of-fit parameter for all reflections | 1.615 |
Goodness-of-fit parameter for significantly intense reflections | 1.001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7151425.html
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Users of the data should acknowledge the original authors of the
structural data.