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Information card for entry 4025425
Preview
Coordinates | 4025425.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H64 N6 O2 |
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Calculated formula | C50 H64 N6 O2 |
Title of publication | Versatile Strategy To Access Fully Functionalized Benzodifurans: Redox-Active Chromophores for the Construction of Extended π-Conjugated Materials |
Authors of publication | Chenyi Yi; Carmen Blum; Mario Lehmann; Stephan Keller; Shi-Xia Liu; Gabriela Frei; Antonia Neels; Jürg Hauser; Stefan Schürch; Silvio Decurtins |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 3350 - 3357 |
a | 15.8793 ± 0.0018 Å |
b | 8.523 ± 0.0007 Å |
c | 33.307 ± 0.004 Å |
α | 90° |
β | 91.269 ± 0.009° |
γ | 90° |
Cell volume | 4506.6 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.3432 |
Residual factor for significantly intense reflections | 0.0945 |
Weighted residual factors for significantly intense reflections | 0.2121 |
Weighted residual factors for all reflections included in the refinement | 0.302 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.71 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4025425.html
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structural data.