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Information card for entry 7107501
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Coordinates | 7107501.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H26 N6 Si |
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Calculated formula | C27 H26 N6 Si |
SMILES | [Si](C(=C=C(c1nnn(c1)Cc1ccccc1)c1ccccc1)n1nnc2c1cccc2)(C)(C)C |
Title of publication | Synthesis of allene triazole through iron catalyzed regioselective addition to propargyl alcohols |
Authors of publication | Wuming Yan; Xiaohan Ye; Keith Weise; Jeffrey L. Petersen; Xiaodong Shi |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 3521 |
a | 12.0515 ± 0.0012 Å |
b | 15.0765 ± 0.0015 Å |
c | 15.9874 ± 0.0016 Å |
α | 114.773 ± 0.002° |
β | 92.532 ± 0.002° |
γ | 96.523 ± 0.002° |
Cell volume | 2606.8 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1073 |
Residual factor for significantly intense reflections | 0.0635 |
Weighted residual factors for significantly intense reflections | 0.1728 |
Weighted residual factors for all reflections included in the refinement | 0.2013 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7107501.html
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