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Information card for entry 1503083
Preview
Coordinates | 1503083.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H22 N2 O |
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Calculated formula | C22 H22 N2 O |
SMILES | N1(c2ccccc2[C@](C1=O)(CC#N)C(C=C)(C)C)Cc1ccccc1 |
Title of publication | Branch-selective synthesis of oxindole and indene scaffolds: transition metal-controlled intramolecular aryl amidation leading to c3 reverse-prenylated oxindoles. |
Authors of publication | Ignatenko, Vasily A.; Deligonul, Nihal; Viswanathan, Rajesh |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 16 |
Pages of publication | 3594 - 3597 |
a | 8.3995 ± 0.0011 Å |
b | 12.2643 ± 0.0016 Å |
c | 17.383 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1790.7 ± 0.4 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0493 |
Residual factor for significantly intense reflections | 0.0385 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.343 |
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/1503083.html
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