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Information card for entry 7117834
Preview
Coordinates | 7117834.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H32 N2 O |
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Calculated formula | C29 H32 N2 O |
SMILES | CC(=O)CC1(c2ccccc2)Nc2c(/C1=N\c1c(cccc1C(C)C)C(C)C)cccc2 |
Title of publication | 3-Aza pi-allyl palladium derived from imino migration in palladium-carbene: MCRs toward multiple substituted indole skeleton |
Authors of publication | Qiang Dai; Yan Jiang; Songjin Guo; Jin-Tao Yu; Jiang Cheng |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 14781 |
a | 8.225 ± 0.002 Å |
b | 12.718 ± 0.003 Å |
c | 24.068 ± 0.006 Å |
α | 90° |
β | 95.287 ± 0.006° |
γ | 90° |
Cell volume | 2506.9 ± 1.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 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 | 0.1475 |
Residual factor for significantly intense reflections | 0.0686 |
Weighted residual factors for significantly intense reflections | 0.1761 |
Weighted residual factors for all reflections included in the refinement | 0.2165 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7117834.html
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Users of the data should acknowledge the original authors of the
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