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Information card for entry 1572024
Preview
Coordinates | 1572024.cif |
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Original IUCr paper | HTML |
Common name | 3-(Pyridin-4-yl)-2,4-diaza-3-boratricyclo[7.3.1.0^5,13^]trideca-1(13),5,7,9,11-pentaene |
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Chemical name | 2-(Pyridin-4-yl)-2,3-dihydro-1<i>H</i>-naphtho[1,8-<i>de</i>][1,3,2]diazaborinine |
Formula | C15 H12 B N3 |
Calculated formula | C15 H12 B N3 |
Title of publication | 2-(Pyridin-4-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine |
Authors of publication | Yamamoto, Ryo; Hashimoto, Shu; Okuno, Tsunehisa |
Journal of publication | IUCrData |
Year of publication | 2024 |
Journal volume | 9 |
Journal issue | 6 |
a | 21.5659 ± 0.0003 Å |
b | 21.5659 ± 0.0003 Å |
c | 5.0863 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2365.58 ± 0.07 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 82 |
Hermann-Mauguin space group symbol | I -4 |
Hall space group symbol | I -4 |
Residual factor for all reflections | 0.0341 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0803 |
Weighted residual factors for all reflections included in the refinement | 0.0825 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1572024.html
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Users of the data should acknowledge the original authors of the
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