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Information card for entry 1507735
Preview
Coordinates | 1507735.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H36 N2 O3 |
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Calculated formula | C24 H36 N2 O3 |
SMILES | C1(=O)[C@]2([C@](c3ccccc3N1CCC)(C)[C@@](C2)(C)OC)C(=O)N(CCC)CCC.C1(=O)[C@@]2([C@@](c3ccccc3N1CCC)(C)[C@](C2)(C)OC)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 | 32.779 ± 0.008 Å |
b | 8.926 ± 0.002 Å |
c | 15.402 ± 0.004 Å |
α | 90° |
β | 94.48 ± 0.003° |
γ | 90° |
Cell volume | 4492.6 ± 1.9 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.1053 |
Weighted residual factors for all reflections included in the refinement | 0.1214 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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