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Information card for entry 1554535
Preview
Coordinates | 1554535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H32 Cl N O9 |
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Calculated formula | C33 H32 Cl N O9 |
SMILES | Clc1c2[C@@H]3[C@H]([C@](OC(=O)C)(Oc2ccc1)C(=O)OCc1ccccc1)[C@@H](c1ccccc1)C(C(=O)OCC)(C(=O)OCC)N3 |
Title of publication | Synergistic promotion by intramolecular hydrogen bonding: a bi-functionally catalyzed cascade reaction for the synthesis of enantiopure chromenopyrrolidines |
Authors of publication | Cao, Jian; Liu, Jin-Yu; Zhang, Yi-Ming; Wang, Zhu-Yin; Xu, Peng-Fei |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 5 |
Pages of publication | 674 |
a | 11.0158 ± 0.0017 Å |
b | 12.13 ± 0.0016 Å |
c | 23.587 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3151.7 ± 0.8 Å3 |
Cell temperature | 295.19 ± 0.1 K |
Ambient diffraction temperature | 295.19 ± 0.1 K |
Number of distinct elements | 5 |
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 | 0.1754 |
Residual factor for significantly intense reflections | 0.0917 |
Weighted residual factors for significantly intense reflections | 0.2117 |
Weighted residual factors for all reflections included in the refinement | 0.2924 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/1554535.html
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