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Information card for entry 4025424
Preview
Coordinates | 4025424.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H60 N6 O2 |
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Calculated formula | C50 H60 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 | 9.0554 ± 0.0014 Å |
b | 15.049 ± 0.002 Å |
c | 17.184 ± 0.002 Å |
α | 90.452 ± 0.011° |
β | 100.466 ± 0.011° |
γ | 97.404 ± 0.012° |
Cell volume | 2282.4 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.3153 |
Residual factor for significantly intense reflections | 0.105 |
Weighted residual factors for significantly intense reflections | 0.2418 |
Weighted residual factors for all reflections included in the refinement | 0.3274 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.753 |
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/4025424.html
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Users of the data should acknowledge the original authors of the
structural data.