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Information card for entry 1507734
Preview
Coordinates | 1507734.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H33 N3 O2 |
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Calculated formula | C24 H33 N3 O2 |
SMILES | C1(=O)[C@]2([C@](c3ccccc3N1CCC)(C)[C@@](C2)(C#N)C)C(=O)N(CCC)CCC.C1(=O)[C@@]2([C@@](c3ccccc3N1CCC)(C)[C@](C2)(C#N)C)C(=O)N(CCC)CCC |
Title of publication | Two-step asymmetric reaction using the frozen chirality generated by spontaneous crystallization. |
Authors of publication | Yagishita, Fumitoshi; Mino, Takashi; Fujita, Tsutomu; Sakamoto, Masami |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 10 |
Pages of publication | 2638 - 2641 |
a | 7.1143 ± 0.0018 Å |
b | 16.557 ± 0.004 Å |
c | 18.936 ± 0.005 Å |
α | 90° |
β | 96.93 ± 0.003° |
γ | 90° |
Cell volume | 2214.2 ± 1 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 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 | 0.0896 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1147 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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