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Information card for entry 4121423
Preview
Coordinates | 4121423.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H22 F3 N O |
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Calculated formula | C25 H22 F3 N O |
SMILES | [C@@H]12c3c(C[C@@H]([C@@H](c4ccccc4)N1Cc1ccccc1)[C@@H](C(F)(F)F)O2)cccc3.[C@H]12c3c(C[C@H]([C@H](c4ccccc4)N1Cc1ccccc1)[C@H](C(F)(F)F)O2)cccc3 |
Title of publication | Double C(sp(3))-H Bond Functionalization Mediated by Sequential Hydride Shift/Cyclization Process: Diastereoselective Construction of Polyheterocycles. |
Authors of publication | Mori, Keiji; Kurihara, Kazuki; Yabe, Shinnosuke; Yamanaka, Masahiro; Akiyama, Takahiko |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 10 |
Pages of publication | 3744 - 3747 |
a | 32.495 ± 0.004 Å |
b | 7.4802 ± 0.0009 Å |
c | 17.551 ± 0.002 Å |
α | 90° |
β | 105.813 ± 0.002° |
γ | 90° |
Cell volume | 4104.7 ± 0.8 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4121423.html
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