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Information card for entry 1567279
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Coordinates | 1567279.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H62 O12 |
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Calculated formula | C42 H62 O12 |
Title of publication | Determination of the critical chain length for macromolecular crystallization using structurally flexible polyketones |
Authors of publication | Ide, Yuki; Manabe, Yumehiro; Inaba, Yuya; Kinoshita, Yusuke; Pirillo, Jenny; Hijikata, Yuh; Yoneda, Tomoki; Shivakumar, Kilingaru I.; Tanaka, Saki; Asakawa, Hitoshi; Inokuma, Yasuhide |
Journal of publication | Chemical Science |
Year of publication | 2022 |
a | 48.93 ± 0.009 Å |
b | 8.2077 ± 0.0017 Å |
c | 10.3345 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4150.4 ± 1.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 45 |
Hermann-Mauguin space group symbol | I b a 2 |
Hall space group symbol | I 2 -2c |
Residual factor for all reflections | 0.2158 |
Residual factor for significantly intense reflections | 0.1571 |
Weighted residual factors for significantly intense reflections | 0.3731 |
Weighted residual factors for all reflections included in the refinement | 0.4353 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.619 |
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/1567279.html
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Users of the data should acknowledge the original authors of the
structural data.