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Information card for entry 1545458
Preview
Coordinates | 1545458.cif |
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Original paper (by DOI) | HTML |
Formula | C43 H36 O4 P2 |
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Calculated formula | C43 H36 O4 P2 |
SMILES | P(=O)(C(P(=O)(c1ccccc1)c1ccccc1)=C1OC(=Cc2c1cccc2)c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C |
Title of publication | Silver-Mediated Radical C(sp(3))-H Biphosphinylation and Nitration of β-Alkynyl Ketones for Accessing Functional Isochromenes. |
Authors of publication | Sun, Jun; Qiu, Jiang-Kai; Wu, Ya-Nan; Hao, Wen-Juan; Guo, Cheng; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 4 |
Pages of publication | 754 - 757 |
a | 14.1257 ± 0.0003 Å |
b | 11.68 ± 0.0002 Å |
c | 22.185 ± 0.0005 Å |
α | 90° |
β | 97.966 ± 0.001° |
γ | 90° |
Cell volume | 3624.94 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.1168 |
Residual factor for significantly intense reflections | 0.0525 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/1545458.html
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