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Information card for entry 4031119
Preview
Coordinates | 4031119.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H17 N O2 |
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Calculated formula | C13 H17 N O2 |
SMILES | O1[C@H]2[C@@H]1[C@@H](O)CC[C@H]2NCc1ccccc1.O1[C@@H]2[C@H]1[C@H](O)CC[C@@H]2NCc1ccccc1 |
Title of publication | Syntheses of Dihydroconduramines (±)-B-1, (±)-E-1, and (±)-F-1 via Diastereoselective Epoxidation of N-Protected 4-Aminocyclohex-2-en-1-ols. |
Authors of publication | Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Green, William D.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 13 |
Pages of publication | 6609 - 6618 |
a | 9.722 ± 0.0002 Å |
b | 10.9729 ± 0.0002 Å |
c | 21.2502 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2266.94 ± 0.08 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P c a b |
Hall space group symbol | -P 2bc 2ac |
Residual factor for all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for all reflections | 0.1121 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9293 |
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/4031119.html
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Users of the data should acknowledge the original authors of the
structural data.