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Information card for entry 4024646
Preview
Coordinates | 4024646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H34 N2 O Si |
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Calculated formula | C25 H34 N2 O Si |
SMILES | c12ccccc1c1c(C(=C3[C@H]1[C@@](C(CC3)(C)C)(C#N)O[Si](C)(C)C(C)(C)C)C)[nH]2.c12ccccc1c1c(C(=C3[C@@H]1[C@](C(CC3)(C)C)(C#N)O[Si](C)(C)C(C)(C)C)C)[nH]2 |
Title of publication | Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates |
Authors of publication | Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Journal issue | 14 |
Pages of publication | 4958 - 4974 |
a | 9.779 ± 0.003 Å |
b | 10.939 ± 0.003 Å |
c | 11.635 ± 0.004 Å |
α | 89.483 ± 0.006° |
β | 77.658 ± 0.005° |
γ | 85.916 ± 0.005° |
Cell volume | 1212.8 ± 0.7 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.0572 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for significantly intense reflections | 0.136 |
Weighted residual factors for all reflections included in the refinement | 0.1444 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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