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Information card for entry 4025510
Preview
Coordinates | 4025510.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H27 N3 O2 |
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Calculated formula | C34 H27 N3 O2 |
SMILES | O=C1N(C(=O)[C@@H]2[C@H]1c1ncn(c1CC2)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.O=C1N(C(=O)[C@H]2[C@@H]1c1ncn(c1CC2)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Thermal 1,3-Trityl Migrations in Diels-Alder Domino Reactions of 1-Trityl-4-vinyl-1H-imidazoles |
Authors of publication | Lynsey J. Cotterill; Ross W. Harrington; William Clegg; Michael J. Hall |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 4604 - 4607 |
a | 10.3238 ± 0.0005 Å |
b | 15.5018 ± 0.0007 Å |
c | 16.2068 ± 0.0008 Å |
α | 91.145 ± 0.004° |
β | 100.369 ± 0.004° |
γ | 96.303 ± 0.004° |
Cell volume | 2533.8 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0795 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0757 |
Weighted residual factors for all reflections included in the refinement | 0.0819 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.845 |
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/4025510.html
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Users of the data should acknowledge the original authors of the
structural data.