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Information card for entry 4003628
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Coordinates | 4003628.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H56 N2 O5 |
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Calculated formula | C69 H56 N2 O5 |
Title of publication | 1-Mono- and 1,7-Disubstituted Perylene Bisimide Dyes with Voluminous Groups at Bay Positions: In Search for Highly Effective Solid-State Fluorescence Materials |
Authors of publication | Stolte, Matthias; Schembri, Tim; Süß, Jasmin; Schmidt, David; Krause, Ana-Maria; Vysotsky, Myroslav O.; Würthner, Frank |
Journal of publication | Chemistry of Materials |
Year of publication | 2020 |
a | 12.1149 ± 0.0011 Å |
b | 14.7691 ± 0.0014 Å |
c | 16.9963 ± 0.0016 Å |
α | 70.135 ± 0.003° |
β | 69.703 ± 0.004° |
γ | 86.331 ± 0.003° |
Cell volume | 2677.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0575 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.123 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4003628.html
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