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Information card for entry 4028696
Preview
Coordinates | 4028696.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H23 N O2 |
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Calculated formula | C25 H23 N O2 |
SMILES | O=C1N2[C@H](c3c1cccc3)C[C@@H](C[C@H]2c1ccc(OC)cc1)c1ccccc1.O=C1N2[C@@H](c3c1cccc3)C[C@H](C[C@@H]2c1ccc(OC)cc1)c1ccccc1 |
Title of publication | Stereoselective Synthesis of Amido and Phenyl Azabicyclic Derivatives via a Tandem Aza Prins-Ritter/Friedel-Crafts Type Reaction of Endocyclic N-Acyliminium Ions |
Authors of publication | Kiran Indukuri; R. Unnava; Manash J. Deka; Anil K. Saikia |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 10629 - 10641 |
a | 10.493 ± 0.002 Å |
b | 19.484 ± 0.004 Å |
c | 11.334 ± 0.002 Å |
α | 90° |
β | 122.064 ± 0.014° |
γ | 90° |
Cell volume | 1963.7 ± 0.7 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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.0605 |
Weighted residual factors for all reflections included in the refinement | 0.0632 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.695 |
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/4028696.html
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