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Information card for entry 7153715
Preview
Coordinates | 7153715.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H44 Cl4 O4 |
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Calculated formula | C60 H44 Cl4 O4 |
SMILES | c1(C(=C=C2C(c3ccc(cc3)OC)(c3ccc(OC)cc3)C(=C=C(c3ccc(cc3)Cl)c3ccc(cc3)Cl)C2(c2ccc(cc2)OC)c2ccc(OC)cc2)c2ccc(cc2)Cl)ccc(cc1)Cl |
Title of publication | Regioisomeric allene dimer formation by the reaction of tetraarylbutatrienes with tetracyanoethene. |
Authors of publication | Ueta, Shoko; Hida, Kazuo; Nishiuchi, Masaki; Kawamura, Yasuhiko |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2014 |
Journal volume | 12 |
Journal issue | 17 |
Pages of publication | 2784 - 2791 |
a | 15.9572 ± 0.0003 Å |
b | 8.7817 ± 0.0002 Å |
c | 16.7713 ± 0.0003 Å |
α | 90° |
β | 91.2657 ± 0.0012° |
γ | 90° |
Cell volume | 2349.61 ± 0.08 Å3 |
Cell temperature | 117 ± 2 K |
Ambient diffraction temperature | 117 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0601 |
Residual factor for significantly intense reflections | 0.0449 |
Weighted residual factors for significantly intense reflections | 0.1171 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation wavelength | 1.54187 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/7153715.html
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