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Information card for entry 4037542
Preview
Coordinates | 4037542.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 Br2 N O4 |
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Calculated formula | C21 H23 Br2 N O4 |
Title of publication | Synthesis of 6-Amino- and 6-Arylazoazulenes via Nucleophilic Aromatic Substitution and Their Reactivity and Properties. |
Authors of publication | Shoji, Taku; Sugiyama, Shuhei; Takeuchi, Mutsumi; Ohta, Akira; Sekiguchi, Ryuta; Ito, Shunji; Yatsu, Tomoaki; Okujima, Tetsuo; Yasunami, Masafumi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 3 |
Pages of publication | 1257 - 1275 |
a | 4.84176 ± 0.00019 Å |
b | 18.7757 ± 0.0005 Å |
c | 21.9789 ± 0.0009 Å |
α | 90° |
β | 94.933 ± 0.004° |
γ | 90° |
Cell volume | 1990.64 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0454 |
Residual factor for significantly intense reflections | 0.0331 |
Weighted residual factors for significantly intense reflections | 0.0665 |
Weighted residual factors for all reflections included in the refinement | 0.0708 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.71075 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/4037542.html
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Users of the data should acknowledge the original authors of the
structural data.