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Information card for entry 7130117
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Coordinates | 7130117.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H61 N3 |
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Calculated formula | C40 H61 N3 |
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 | 9.9563 ± 0.001 Å |
b | 16.8762 ± 0.0017 Å |
c | 22.908 ± 0.002 Å |
α | 108.768 ± 0.001° |
β | 96.635 ± 0.001° |
γ | 99.305 ± 0.001° |
Cell volume | 3538.2 ± 0.6 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1318 |
Residual factor for significantly intense reflections | 0.0755 |
Weighted residual factors for significantly intense reflections | 0.173 |
Weighted residual factors for all reflections included in the refinement | 0.2041 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7130117.html
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