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Information card for entry 1558695
Preview
Coordinates | 1558695.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H60 Br1.24 Cl0.76 N2 O |
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Calculated formula | C33 H60 Br1.241 Cl0.759 N2 O |
Title of publication | Deciphering the 3D Microstructures of a Doubly Charged Homopolymer through a Complementary Correlation of Monomer Crystallography and Polymer Powder X-ray Diffraction |
Authors of publication | Chen, Xi; Spiering, Glenn A.; Slebodnick, Carla; Long, Timothy E.; Moore, Robert B. |
Journal of publication | Macromolecules |
Year of publication | 2020 |
a | 6.7054 ± 0.0001 Å |
b | 40.6996 ± 0.0009 Å |
c | 12.4989 ± 0.0003 Å |
α | 90° |
β | 93.864 ± 0.002° |
γ | 90° |
Cell volume | 3403.28 ± 0.12 Å3 |
Cell temperature | 100 ± 0.12 K |
Ambient diffraction temperature | 100 ± 0.12 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0584 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1308 |
Weighted residual factors for all reflections included in the refinement | 0.1354 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/1558695.html
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