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Information card for entry 7061587
Preview
Coordinates | 7061587.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H24 O |
---|---|
Calculated formula | C25 H24 O |
Title of publication | Reactions of linear conjugated dienone structures with arenes under superelectrophilic activation conditions. An experimental and theoretical study of intermediate multicentered electrophilic species |
Authors of publication | Kochurin, Matvei A.; Ismagilova, Alina R.; Zakusilo, Dmitriy N.; Khoroshilova, Olesya V.; Boyarskaya, Irina A.; Vasilyev, Aleksander V. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2022 |
Journal volume | 46 |
Journal issue | 25 |
Pages of publication | 12041 - 12053 |
a | 9.4843 ± 0.0007 Å |
b | 5.6568 ± 0.0006 Å |
c | 34.252 ± 0.003 Å |
α | 90° |
β | 96.212 ± 0.008° |
γ | 90° |
Cell volume | 1826.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1501 |
Residual factor for significantly intense reflections | 0.1357 |
Weighted residual factors for significantly intense reflections | 0.3563 |
Weighted residual factors for all reflections included in the refinement | 0.3642 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7061587.html
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