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Information card for entry 7130119
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Coordinates | 7130119.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H58 B F4 N2 |
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Calculated formula | C40 H58 B F4 N2 |
Title of publication | Bis[cyclic (alkyl)(amino)carbene] isomers: Stable trans-bis(CAAC) versus facile olefin formation for cis-bis(CAAC) |
Authors of publication | Puerta Lombardi, Braulio M.; Pezoulas, Ethan R.; Suvinen, Roope A.; Harrison, Alexander; Dubrawski, Zachary S.; Gelfand, Benjamin S.; Tuononen, Heikki M.; Roesler, Roland |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 10.1982 ± 0.0002 Å |
b | 22.5087 ± 0.0005 Å |
c | 17.5373 ± 0.0004 Å |
α | 90° |
β | 100.021 ± 0.001° |
γ | 90° |
Cell volume | 3964.24 ± 0.15 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0743 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1803 |
Weighted residual factors for all reflections included in the refinement | 0.1887 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7130119.html
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