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Information card for entry 4029813
Preview
Coordinates | 4029813.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H26 N2 O3 |
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Calculated formula | C20 H26 N2 O3 |
SMILES | O(C(=O)N1C[C@@H]2[C@]3(CN(Cc4ccccc4)C(=O)[C@H]3C2)C1)C(C)(C)C |
Title of publication | An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines. |
Authors of publication | Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 15 |
Pages of publication | 7152 - 7161 |
a | 6.432 Å |
b | 16.9723 ± 0.0001 Å |
c | 17.2995 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1888.51 ± 0.016 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0246 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0642 |
Weighted residual factors for all reflections included in the refinement | 0.0643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4029813.html
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Users of the data should acknowledge the original authors of the
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