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Information card for entry 7052082
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Coordinates | 7052082.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H19 N3 O |
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Calculated formula | C18 H19 N3 O |
Title of publication | Structure and tautomerism of azo coupling products from N-alkylenaminones derived from acetylacetone and benzoylacetone in solid phase and in solution |
Authors of publication | Petr Šimůnek; Markéta Svobodová; Valerio Bertolasi; Loretta Pretto; Antonín Lyčka; Vladimír Macháček |
Journal of publication | New Journal of Chemistry |
Year of publication | 2007 |
Journal volume | 31 |
Journal issue | 3 |
Pages of publication | 429 |
a | 8.1028 ± 0.0002 Å |
b | 10.4312 ± 0.0002 Å |
c | 10.4731 ± 0.0002 Å |
α | 67.932 ± 0.001° |
β | 76.578 ± 0.001° |
γ | 71.72 ± 0.001° |
Cell volume | 772.36 ± 0.03 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 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 | 0.0555 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1242 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7052082.html
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