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Information card for entry 1502151
Preview
Coordinates | 1502151.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H26 N2 O2 S |
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Calculated formula | C19 H26 N2 O2 S |
SMILES | S(=O)(=O)(N1C(=NC([C@H]2C[C@@H]1C(=CC2)C)(C)C)C)c1ccc(C)cc1.S(=O)(=O)(N1C(=NC([C@@H]2C[C@H]1C(=CC2)C)(C)C)C)c1ccc(C)cc1 |
Title of publication | N-bromosuccinimide initiated one-pot synthesis of imidazoline. |
Authors of publication | Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 9 |
Pages of publication | 2448 - 2451 |
a | 14.8341 ± 0.001 Å |
b | 8.296 ± 0.0006 Å |
c | 15.3758 ± 0.001 Å |
α | 90° |
β | 109.739 ± 0.001° |
γ | 90° |
Cell volume | 1781 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.04 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.1026 |
Weighted residual factors for all reflections included in the refinement | 0.1045 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/1502151.html
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Users of the data should acknowledge the original authors of the
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