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Information card for entry 1503986
Preview
Coordinates | 1503986.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H21 N O3 |
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Calculated formula | C22 H21 N O3 |
SMILES | N1(C(=O)C2=CCCC[C@]2([C@@H]1c1ccccc1)C(=O)O)Cc1ccccc1.N1(C(=O)C2=CCCC[C@@]2([C@H]1c1ccccc1)C(=O)O)Cc1ccccc1 |
Title of publication | One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides. |
Authors of publication | Tang, Yuchen; Fettinger, James C.; Shaw, Jared T. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 17 |
Pages of publication | 3802 - 3805 |
a | 11.9736 ± 0.0005 Å |
b | 13.2421 ± 0.0006 Å |
c | 11.3948 ± 0.0005 Å |
α | 90° |
β | 102.494 ± 0.001° |
γ | 90° |
Cell volume | 1763.92 ± 0.13 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0478 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0931 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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