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Information card for entry 1544222
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1544222.cif |
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Original paper (by DOI) | HTML |
Formula | C25 H17 Cl N O P |
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Calculated formula | C25 H17 Cl N O P |
SMILES | Clc1cc2c3c(c(P(=O)(c4ccccc4)c4ccccc4)nc2cc1)cccc3 |
Title of publication | Visible-Light-Induced Cascade Reaction of Isocyanides and N-Arylacrylamides with Diphenylphosphine Oxide via Radical C-P and C-C Bond Formation. |
Authors of publication | Li, Chun-Xiao; Tu, De-Shuang; Yao, Rui; Yan, Hong; Lu, Chang-Sheng |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 19 |
Pages of publication | 4928 - 4931 |
a | 13.831 ± 0.007 Å |
b | 16.046 ± 0.008 Å |
c | 9.43 ± 0.005 Å |
α | 90° |
β | 105.784 ± 0.008° |
γ | 90° |
Cell volume | 2013.9 ± 1.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0539 |
Residual factor for significantly intense reflections | 0.0419 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.128 |
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/1544222.html
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Users of the data should acknowledge the original authors of the
structural data.