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Information card for entry 1505857
Preview
Coordinates | 1505857.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H19 Cr N O5 |
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Calculated formula | C22 H19 Cr N O5 |
SMILES | [Cr]12345([cH]6[cH]1[cH]2[cH]3[c]14[c]56C=C(N1c1c(cccc1C)C1OCCO1)C)(C#[O])(C#[O])C#[O] |
Title of publication | Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles. |
Authors of publication | Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 6 |
Pages of publication | 1097 - 1100 |
a | 16.371 ± 0.003 Å |
b | 7.3063 ± 0.0012 Å |
c | 17.618 ± 0.003 Å |
α | 90° |
β | 108.702 ± 0.008° |
γ | 90° |
Cell volume | 1996 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 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 | 0.0993 |
Residual factor for significantly intense reflections | 0.0544 |
Weighted residual factors for significantly intense reflections | 0.1279 |
Weighted residual factors for all reflections included in the refinement | 0.1452 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.959 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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