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Information card for entry 4036948
Preview
Coordinates | 4036948.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H18 O2 |
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Calculated formula | C25 H18 O2 |
SMILES | c1cccc2c1C1(c3c2cc2c(c3c3ccccc3)cccc2)OCCO1 |
Title of publication | Domino Fragmentations in Traceless Directing Groups of Radical Cascades: Evidence for the Formation of Alkoxy Radicals via C-O Scission. |
Authors of publication | Harris, Trevor; Gomes, Gabriel Dos Passos; Clark, Ronald J.; Alabugin, Igor V. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 14 |
Pages of publication | 6007 - 6017 |
a | 32.136 ± 0.002 Å |
b | 14.7792 ± 0.0011 Å |
c | 7.6234 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3620.7 ± 0.5 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0404 |
Residual factor for significantly intense reflections | 0.0355 |
Weighted residual factors for significantly intense reflections | 0.0813 |
Weighted residual factors for all reflections included in the refinement | 0.0839 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/4036948.html
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