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Information card for entry 4104996
Preview
Coordinates | 4104996.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H19 N O |
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Calculated formula | C15 H19 N O |
SMILES | C1CC[C@@]2(C[C@H]1[C@@H](C)C(=N2)c1ccccc1)O.C1CC[C@]2(C[C@@H]1[C@H](C)C(=N2)c1ccccc1)O |
Title of publication | Mn(III)-Mediated Reactions of Cyclopropanols with Vinyl Azides: Synthesis of Pyridine and 2-Azabicyclo[3.3.1]non-2-en-1-ol Derivatives |
Authors of publication | Yi-Feng Wang; Shunsuke Chiba |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 12570 - 12572 |
a | 20.9491 ± 0.0008 Å |
b | 11.4791 ± 0.0004 Å |
c | 12.8044 ± 0.0005 Å |
α | 90° |
β | 124.361 ± 0.002° |
γ | 90° |
Cell volume | 2541.84 ± 0.18 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 | 0.0828 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.1086 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4104996.html
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