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Information card for entry 4035232
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Coordinates | 4035232.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 N2 O3 S |
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Calculated formula | C27 H26 N2 O3 S |
Title of publication | Bi(OTf)<sub>3</sub>-Catalyzed Diastereoselective One-Pot Synthesis of 1,3-Diamines with Three Continuous Stereogenic Centers. |
Authors of publication | Halli, Juliette; Kramer, Philipp; Grimmer, Jennifer; Bolte, Michael; Manolikakes, Georg |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 19 |
Pages of publication | 12007 - 12022 |
a | 5.12421 ± 0.00008 Å |
b | 18.41 ± 0.0003 Å |
c | 24.5471 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2315.69 ± 0.06 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0886 |
Residual factor for significantly intense reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.219 |
Weighted residual factors for all reflections included in the refinement | 0.2271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4035232.html
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