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Information card for entry 7706546
Preview
Coordinates | 7706546.cif |
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Original paper (by DOI) | HTML |
Formula | C61 H58 Ca N2 O2 |
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Calculated formula | C61 H58 Ca N2 O2 |
Title of publication | Calcium catalyzed enantioselective intramolecular alkene hydroamination with chiral <i>C</i><sub>2</sub>-symmetric bis-amide ligands. |
Authors of publication | Stegner, Philipp C.; Eyselein, Jonathan; Ballmann, Gerd M.; Langer, Jens; Schmidt, Jochen; Harder, Sjoerd |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 9 |
Pages of publication | 3178 - 3185 |
a | 15.2128 ± 0.0001 Å |
b | 15.606 ± 0.0001 Å |
c | 20.6921 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4912.53 ± 0.07 Å3 |
Cell temperature | 100 ± 0.2 K |
Ambient diffraction temperature | 100 ± 0.2 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 | 0.0394 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.1004 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7706546.html
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