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Information card for entry 4121700
Preview
Coordinates | 4121700.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H26 N2 O4 |
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Calculated formula | C30 H26 N2 O4 |
SMILES | O1[C@H]2[C@]3([C@H](CC[C@@H]2N(c2c3cccc2)Cc2ccccc2)C1=O)CCN1C(=O)c2ccccc2C1=O.O1[C@@H]2[C@@]3([C@@H](CC[C@H]2N(c2c3cccc2)Cc2ccccc2)C1=O)CCN1C(=O)c2ccccc2C1=O |
Title of publication | Dearomative indole (3 + 2) cycloaddition reactions. |
Authors of publication | Li, Hui; Hughes, Russell P.; Wu, Jimmy |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 17 |
Pages of publication | 6288 - 6296 |
a | 13.0202 ± 0.0008 Å |
b | 10.2694 ± 0.0007 Å |
c | 18.7419 ± 0.0012 Å |
α | 90° |
β | 105.571 ± 0.001° |
γ | 90° |
Cell volume | 2414 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0535 |
Residual factor for significantly intense reflections | 0.0405 |
Weighted residual factors for significantly intense reflections | 0.093 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4121700.html
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