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Information card for entry 7130383
Preview
Coordinates | 7130383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H32.5 B Cl0.5 F6 N3 O7 S2 |
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Calculated formula | C25 H32.5 B Cl0.5 F6 N3 O7 S2 |
Title of publication | Intramolecular Frustrated Lewis Pair Mediated Approach to the C=O Bond Activation and Cleavage of Carbon Dioxide |
Authors of publication | Krempner, Clemens; Manankandayalage, Chamila; Katakam, Nandakumar; Unruh, Daniel K.; Aquino, Adelia |
Journal of publication | Chemical Communications |
Year of publication | 2022 |
a | 8.1513 ± 0.0001 Å |
b | 12.7879 ± 0.0002 Å |
c | 15.9378 ± 0.0003 Å |
α | 70.103 ± 0.001° |
β | 80.363 ± 0.001° |
γ | 89.392 ± 0.001° |
Cell volume | 1538.18 ± 0.04 Å3 |
Cell temperature | 99.9 ± 0.4 K |
Ambient diffraction temperature | 99.9 ± 0.4 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0973 |
Weighted residual factors for all reflections included in the refinement | 0.1013 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7130383.html
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