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Information card for entry 7203448
Preview
Coordinates | 7203448.cif |
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Original paper (by DOI) | HTML |
Common name | N,N'-dimethyl-4-((trimethylsilyl)ethynyl)-aniline |
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Chemical name | N,N'-dimethyl-4-[(trimethylsilyl)ethynyl]-aniline |
Formula | C13 H19 N Si |
Calculated formula | C13 H19 N Si |
Title of publication | Part 2. Structures of 4-trimethylsilylethynyl-<i>N</i>,<i>N</i>-dimethylaniline, and 4-ethynyl-<i>N</i>,<i>N</i>-dimethylaniline with <i>Z</i>′ = 12 and a single-crystal to single-crystal phase transition at 122.5 ± 2 K |
Authors of publication | Andrei S. Batsanov; Jonathan C. Collings; Richard M. Ward; Andrés E. Goeta; Laurent Porrès; Andrew Beeby; Judith A. K. Howard; Jonathan W. Steed; Todd B. Marder |
Journal of publication | CrystEngComm |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 8 |
Pages of publication | 622 |
a | 13.015 ± 0.002 Å |
b | 9.581 ± 0.003 Å |
c | 32.611 ± 0.006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4066.5 ± 1.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0506 |
Residual factor for significantly intense reflections | 0.0379 |
Weighted residual factors for significantly intense reflections | 0.0952 |
Weighted residual factors for all reflections included in the refinement | 0.1005 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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