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Information card for entry 1546128
Preview
Coordinates | 1546128.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C117.06 H104.25 I12 N25.11 O10.05 Zn6 |
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Calculated formula | C117.06 H104.25 I12 N25.11 O10.05 Zn6 |
Title of publication | Determination of the absolute configuration of compounds bearing chiral quaternary carbon centers using the crystalline sponge method |
Authors of publication | Sairenji, Shiho; Kikuchi, Takashi; Abozeid, Mohamed Ahmed; Takizawa, Shinobu; Sasai, Hiroaki; Ando, Yuichiro; Ohmatsu, Kohsuke; Ooi, Takashi; Fujita, Makoto |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 34.9084 ± 0.0006 Å |
b | 14.9228 ± 0.0002 Å |
c | 29.6669 ± 0.0005 Å |
α | 90° |
β | 101.028 ± 0.002° |
γ | 90° |
Cell volume | 15169 ± 0.4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.0943 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1693 |
Weighted residual factors for all reflections included in the refinement | 0.192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71075 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/1546128.html
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