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Information card for entry 7247988
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Coordinates | 7247988.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | CB-OTf |
---|---|
Formula | C42 H18 F6 O12 S2 |
Calculated formula | C42 H18 F6 O12 S2 |
Title of publication | Coerulein B: a water-soluble and water-compatible near-infrared photoredox catalyst. |
Authors of publication | Tanioka, Masaru; Oyama, Masaya; Nakajima, Kaito; Mori, Minori; Harada, Mei; Matsuya, Yuji; Kamino, Shinichiro |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2024 |
Journal volume | 26 |
Journal issue | 5 |
Pages of publication | 4474 - 4479 |
a | 5.7811 ± 0.0001 Å |
b | 12.0613 ± 0.0004 Å |
c | 12.5328 ± 0.0003 Å |
α | 100.454 ± 0.002° |
β | 90.274 ± 0.002° |
γ | 98.211 ± 0.002° |
Cell volume | 850.14 ± 0.04 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103.15 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0349 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0904 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7247988.html
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