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Information card for entry 7204986
Preview
Coordinates | 7204986.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H21 Br N2 |
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Calculated formula | C16 H21 Br N2 |
SMILES | [Br-].[Br-].[NH+](c1ccc2CCc3c2c1c(N(C)C)cc3)(C)C |
Title of publication | Molecular structure of 5,6-bis(dimethylamino)acenaphthene, 5,6-bis(dimethylamino)acenaphthylene, and their monohydrobromides: a comparison with some naphthalene proton sponges |
Authors of publication | Pozharskii, Alexander F.; Ozeryanskii, Valery A.; Starikova, Zoya A. |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2002 |
Journal issue | 2 |
Pages of publication | 318 |
a | 19.0454 ± 0.0009 Å |
b | 14.6856 ± 0.0007 Å |
c | 11.0912 ± 0.0005 Å |
α | 90° |
β | 101.788 ± 0.001° |
γ | 90° |
Cell volume | 3036.7 ± 0.2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0467 |
Residual factor for significantly intense reflections | 0.0262 |
Weighted residual factors for significantly intense reflections | 0.0525 |
Weighted residual factors for all reflections included in the refinement | 0.0553 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7204986.html
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