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Information card for entry 1519636
Preview
Coordinates | 1519636.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84.5 H64 I12.04 N24 S0.5 Zn6 |
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Calculated formula | C84.5 H64 I12.036 N24 S0.5 Zn6 |
Title of publication | Absolute structure determination of compounds with axial and planar chirality using the crystalline sponge method |
Authors of publication | Yoshioka, Shota; Inokuma, Yasuhide; Hoshino, Manabu; Sato, Takashi; Fujita, Makoto |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 7 |
Pages of publication | 3765 |
a | 34.8299 ± 0.0007 Å |
b | 14.9133 ± 0.0002 Å |
c | 31.5387 ± 0.0006 Å |
α | 90° |
β | 102.403 ± 0.002° |
γ | 90° |
Cell volume | 15999.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0754 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1854 |
Weighted residual factors for all reflections included in the refinement | 0.2036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/1519636.html
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structural data.