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Information card for entry 2204854
Preview
Coordinates | 2204854.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 3-Hydroxy-1,3-di-p-tolylpropenone |
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Formula | C17 H16 O2 |
Calculated formula | C17 H16 O2 |
Title of publication | 3-Hydroxy-1,3-di-<i>p</i>-tolylpropenone |
Authors of publication | Dege, Necmi; Yıldım, İsmail; Güldeste, Ayhan; İnaç, Hasan; Koca, İrfan; Nermin, Kahveci; Özyetiş, Ahmet; Büyükgüngör, Orhan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 1 |
Pages of publication | o60 - o62 |
a | 11.28 ± 0.005 Å |
b | 11.884 ± 0.005 Å |
c | 10.657 ± 0.005 Å |
α | 90° |
β | 114.169 ± 0.005° |
γ | 90° |
Cell volume | 1303.4 ± 1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
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 | 0.0473 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1167 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2204854.html
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