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Information card for entry 1517484
Preview
Coordinates | 1517484.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H26 N2 O5 |
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Calculated formula | C18 H22 N2 O4 |
SMILES | O=C1[C@]23CN(C(=O)OC(C)(C)C)CC[C@H](ON2c2c1cccc2)C3.O=C1[C@@]23CN(C(=O)OC(C)(C)C)CC[C@@H](ON2c2c1cccc2)C3 |
Title of publication | Tuning the Regioselectivity of Gold-Catalyzed Internal Nitroalkyne Redox: A Cycloisomerization and [3 + 2]-Cycloaddition Cascade for the Construction of spiro-Pseudoindoxyl Skeleton. |
Authors of publication | Suneel Kumar, Chepuri V.; Ramana, Chepuri V. |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 18 |
Pages of publication | 4766 - 4769 |
a | 26.4774 ± 0.0018 Å |
b | 8.7506 ± 0.0006 Å |
c | 17.7496 ± 0.0012 Å |
α | 90° |
β | 123.531 ± 0.003° |
γ | 90° |
Cell volume | 3428.1 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0631 |
Residual factor for significantly intense reflections | 0.054 |
Weighted residual factors for significantly intense reflections | 0.1127 |
Weighted residual factors for all reflections included in the refinement | 0.1176 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/1517484.html
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Users of the data should acknowledge the original authors of the
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