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Information card for entry 7133927
Preview
Coordinates | 7133927.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H30 N2 O4 |
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Calculated formula | C39 H30 N2 O4 |
Title of publication | Construction of atropisomeric benzoxepinone-embedded styrenes <i>via</i> intramolecular [3+2] cycloaddition and catalytic kinetic resolution. |
Authors of publication | Wang, Yue; Wei, Xingfu; Xue, Aiqi; Huang, Yue; Qu, Jingping; Wang, Baomin |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 88 |
Pages of publication | 12864 - 12867 |
a | 13.0367 ± 0.0014 Å |
b | 15.1484 ± 0.0018 Å |
c | 17.888 ± 0.002 Å |
α | 90° |
β | 96.818 ± 0.003° |
γ | 90° |
Cell volume | 3507.6 ± 0.7 Å3 |
Cell temperature | 263 K |
Ambient diffraction temperature | 263 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0919 |
Residual factor for significantly intense reflections | 0.0748 |
Weighted residual factors for significantly intense reflections | 0.2397 |
Weighted residual factors for all reflections included in the refinement | 0.2512 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/7133927.html
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