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Information card for entry 7115328
Preview
Coordinates | 7115328.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H21 N O |
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Calculated formula | C17 H21 N O |
SMILES | N1(c2cc(c(cc2[C@@H]2[C@H]1[C@@H]1C[C@H]2CC1)C)C)C(=O)C.N1(c2cc(c(cc2[C@H]2[C@@H]1[C@H]1C[C@@H]2CC1)C)C)C(=O)C |
Title of publication | Pd-Catalyzed C-H activation/oxidative cyclization of acetanilide with norbornene: concise access to functionalized indolines |
Authors of publication | Yang Gao; Yubing Huang; Wanqing Wu; Kefan Huang; Huanfeng Jiang |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 8370 |
a | 6.5188 ± 0.0013 Å |
b | 6.6901 ± 0.0013 Å |
c | 16.077 ± 0.003 Å |
α | 93.17 ± 0.03° |
β | 91.18 ± 0.03° |
γ | 98.9 ± 0.03° |
Cell volume | 691.3 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0836 |
Residual factor for significantly intense reflections | 0.0517 |
Weighted residual factors for significantly intense reflections | 0.1584 |
Weighted residual factors for all reflections included in the refinement | 0.1946 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7115328.html
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Users of the data should acknowledge the original authors of the
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