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Information card for entry 4131093
Preview
Coordinates | 4131093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H70 Cl F14 N7 O6 S2 |
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Calculated formula | C64 H70 Cl F14 N7 O6 S2 |
Title of publication | Mechanism-Guided Development of a Highly Active Bis-thiourea Catalyst for Anion-Abstraction Catalysis. |
Authors of publication | Kennedy, C. Rose; Lehnherr, Dan; Rajapaksa, Naomi S.; Ford, David D.; Park, Yongho; Jacobsen, Eric N. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 41 |
Pages of publication | 13525 - 13528 |
a | 14.3464 ± 0.0002 Å |
b | 14.3464 ± 0.0002 Å |
c | 28.5097 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 5081.7 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 154 |
Hermann-Mauguin space group symbol | P 32 2 1 |
Hall space group symbol | P 32 2" |
Residual factor for all reflections | 0.0331 |
Residual factor for significantly intense reflections | 0.0311 |
Weighted residual factors for significantly intense reflections | 0.079 |
Weighted residual factors for all reflections included in the refinement | 0.0806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4131093.html
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structural data.