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Information card for entry 4038068
Preview
Coordinates | 4038068.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H28 N2 O Si |
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Calculated formula | C22.4 H22.4 N1.6 O0.8 Si0.8 |
SMILES | [Si]1(c2ccccc2)(c2c(Oc3c1ccc(N(C)C)c3)cc(N(C)C)cc2)c1ccccc1 |
Title of publication | Synthesis of six-membered silacycles by borane-catalyzed double sila-Friedel‒Crafts reaction |
Authors of publication | Dong, Yafang; Sakai, Masahiko; Fuji, Kazuto; Sekine, Kohei; Kuninobu, Yoichiro |
Journal of publication | Beilstein Journal of Organic Chemistry |
Year of publication | 2020 |
Journal volume | 16 |
Pages of publication | 409 - 414 |
a | 12.4645 ± 0.0005 Å |
b | 12.9987 ± 0.0005 Å |
c | 16.7305 ± 0.0005 Å |
α | 83.723 ± 0.003° |
β | 73.112 ± 0.003° |
γ | 86.634 ± 0.003° |
Cell volume | 2577.23 ± 0.17 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1067 |
Residual factor for significantly intense reflections | 0.087 |
Weighted residual factors for significantly intense reflections | 0.2284 |
Weighted residual factors for all reflections included in the refinement | 0.2555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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