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Information card for entry 4033333
Preview
Coordinates | 4033333.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H50 Cl6 N2 O6 |
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Calculated formula | C58 H50 Cl6 N2 O6 |
Title of publication | Controllable Monobromination of Perylene Ring System: Synthesis of Bay-Functionalized Perylene Dyes. |
Authors of publication | Takahashi, Masaki; Asaba, Kyohei; Lua, Trinh Thi; Inuzuka, Toshiyasu; Uemura, Naohiro; Sakamoto, Masami; Sengoku, Tetsuya; Yoda, Hidemi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 2 |
Pages of publication | 624 - 631 |
a | 12.6869 ± 0.0003 Å |
b | 37.5546 ± 0.0012 Å |
c | 11.2665 ± 0.0003 Å |
α | 90° |
β | 104.367 ± 0.002° |
γ | 90° |
Cell volume | 5200.1 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0981 |
Residual factor for significantly intense reflections | 0.0947 |
Weighted residual factors for significantly intense reflections | 0.2709 |
Weighted residual factors for all reflections included in the refinement | 0.2773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.323 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4033333.html
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