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Information card for entry 1556010
Preview
Coordinates | 1556010.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O2 |
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Calculated formula | C24 H24 N2 O2 |
SMILES | O=C(N[C@H]([C@H](CNC(=O)c1ccccc1)C)c1ccccc1)c1ccccc1.O=C(N[C@@H]([C@@H](CNC(=O)c1ccccc1)C)c1ccccc1)c1ccccc1 |
Title of publication | Modular Two-Step Approach for the Stereodivergent Synthesis of 1,3-Diamines with Three Continuous Stereocenters. |
Authors of publication | Halli, Juliette; Bolte, Michael; Bats, Jan; Manolikakes, Georg |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 3 |
Pages of publication | 674 - 677 |
a | 10.9969 ± 0.001 Å |
b | 11.8906 ± 0.0011 Å |
c | 15.8497 ± 0.0014 Å |
α | 90° |
β | 106.796 ± 0.001° |
γ | 90° |
Cell volume | 1984.1 ± 0.3 Å3 |
Cell temperature | 189 ± 2 K |
Ambient diffraction temperature | 189 ± 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 | 0.0856 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.0988 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/1556010.html
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