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Information card for entry 7116311
Preview
Coordinates | 7116311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H25 Br N2 O4 |
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Calculated formula | C22 H25 Br N2 O4 |
SMILES | Brc1cc2[C@@]34CC(=C\N5C(=O)OCC5)\[C@]3(N(c2cc1)C(=O)OC(C)(C)C)CCC4 |
Title of publication | Enantioselective gold catalyzed dearomative [2+2]-cycloaddition between indoles and allenamides. |
Authors of publication | Jia, Minqiang; Monari, Magda; Yang, Qing-Qing; Bandini, Marco |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 12 |
Pages of publication | 2320 - 2323 |
a | 10.417 ± 0.005 Å |
b | 10 ± 0.005 Å |
c | 11.057 ± 0.005 Å |
α | 90° |
β | 106.396 ± 0.005° |
γ | 90° |
Cell volume | 1105 ± 0.9 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0595 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1369 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7116311.html
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