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Information card for entry 1555481
Preview
Coordinates | 1555481.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O2 |
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Calculated formula | C24 H24 N2 O2 |
SMILES | O(c1ccc(C)cc1)C1(C(=O)N(C)c2ccccc12)c1ccccc1N(C)C |
Title of publication | Three-Component Coupling Involving Arynes, Aromatic Tertiary Amines, and Aldehydes via Aryl-Aryl Amino Group Migration. |
Authors of publication | Bhojgude, Sachin Suresh; Baviskar, Dnyaneshwar R.; Gonnade, Rajesh G.; Biju, Akkattu T. |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 24 |
Pages of publication | 6270 - 6273 |
a | 9.0073 ± 0.0002 Å |
b | 29.18 ± 0.0007 Å |
c | 7.8919 ± 0.0002 Å |
α | 90° |
β | 104.587 ± 0.001° |
γ | 90° |
Cell volume | 2007.39 ± 0.08 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0677 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1243 |
Weighted residual factors for all reflections included in the refinement | 0.1293 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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