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Information card for entry 7110186
Preview
Coordinates | 7110186.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | rac-(7aS,11S)-11-Pyridine-2-yl-7a,8,9,10-tetrahydro-11H-7-oxa-10a-aza-cyclopenta[b]phenanthrene |
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Formula | C20 H18 N2 O |
Calculated formula | C20 H18 N2 O |
SMILES | c12c(ccc3c1cccc3)O[C@H]1N([C@H]2c2ccccn2)CCC1.c12c(ccc3c1cccc3)O[C@@H]1N([C@@H]2c2ccccn2)CCC1 |
Title of publication | Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines |
Authors of publication | Sujit Mahato; Surajit Haldar; Chandan K. Jana |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 332 |
a | 10.5276 ± 0.0005 Å |
b | 8.353 ± 0.0004 Å |
c | 18.04 ± 0.0008 Å |
α | 90° |
β | 101.988 ± 0.003° |
γ | 90° |
Cell volume | 1551.79 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1305 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1046 |
Weighted residual factors for all reflections included in the refinement | 0.1285 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
Diffraction radiation probe | x-ray |
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/7110186.html
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Users of the data should acknowledge the original authors of the
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