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Information card for entry 4128150
Preview
Coordinates | 4128150.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H26 N2 O3 |
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Calculated formula | C25 H26 N2 O3 |
SMILES | O=C(OC)[C@@]12C(=O)[C@@](c3[nH]c4ccccc4c3[C@H]1C)(CN(C2)Cc1ccccc1)C |
Title of publication | Enantioselective Total Synthesis of (+)-Arboridinine. |
Authors of publication | Zhang, Zhen; Xie, Sujun; Cheng, Bin; Zhai, Hongbin; Li, Yun |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 17 |
Pages of publication | 7147 - 7154 |
a | 10.91514 ± 0.00018 Å |
b | 12.1031 ± 0.0002 Å |
c | 32.0994 ± 0.0006 Å |
α | 90° |
β | 95.1628 ± 0.0016° |
γ | 90° |
Cell volume | 4223.35 ± 0.13 Å3 |
Cell temperature | 173 ± 0.1 K |
Ambient diffraction temperature | 173 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0393 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1013 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4128150.html
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Users of the data should acknowledge the original authors of the
structural data.