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Information card for entry 4035230
Preview
Coordinates | 4035230.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29.33 H27.33 Cl F N2 O3 |
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Calculated formula | C29.3333 H27.3333 Cl F N2 O3 |
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 | 22.0812 ± 0.0019 Å |
b | 22.0812 ± 0.0019 Å |
c | 28.205 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 11909.7 ± 1.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.197 |
Residual factor for significantly intense reflections | 0.1088 |
Weighted residual factors for significantly intense reflections | 0.2583 |
Weighted residual factors for all reflections included in the refinement | 0.3117 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4035230.html
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