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Information card for entry 4121568
Preview
Coordinates | 4121568.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H23 Cl Co N |
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Calculated formula | C21 H23 Cl Co N |
SMILES | [Co]12345(Cl)(c6ccccc6c6[n]1cccc6)[c]1([c]3([c]2([c]5([c]41C)C)C)C)C |
Title of publication | Pyrroloindolone Synthesis via a Cp*Co(III)-Catalyzed Redox-Neutral Directed C-H Alkenylation/Annulation Sequence. |
Authors of publication | Ikemoto, Hideya; Yoshino, Tatsuhiko; Sakata, Ken; Matsunaga, Shigeki; Kanai, Motomu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 14 |
Pages of publication | 5424 - 5431 |
a | 7.177 ± 0.003 Å |
b | 14.812 ± 0.005 Å |
c | 16.726 ± 0.006 Å |
α | 90° |
β | 99.963 ± 0.006° |
γ | 90° |
Cell volume | 1751.3 ± 1.1 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 5 |
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 | 0.0391 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0964 |
Weighted residual factors for all reflections included in the refinement | 0.0989 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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