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Information card for entry 4130869
Preview
Coordinates | 4130869.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H14 B2 N2 O8 S2 |
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Calculated formula | C28 H14 B2 N2 O8 S2 |
SMILES | [B]12(c3cc4C(c5cc([B]67[N](CC(=O)O6)(CC(=O)O7)C)sc5c4s3)(CC(CCCC)CC)CC(CC)CCCC)[N](CC(=O)O2)(CC(=O)O1)C |
Title of publication | A General Protocol for the Polycondensation of Thienyl N-Methyliminodiacetic Acid Boronate Esters To Form High Molecular Weight Copolymers. |
Authors of publication | Carrillo, Josue Ayuso; Turner, Michael L.; Ingleson, Michael J. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 40 |
Pages of publication | 13361 - 13368 |
a | 7.2433 ± 0.0016 Å |
b | 20.504 ± 0.004 Å |
c | 27.708 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4115.1 ± 1.4 Å3 |
Cell temperature | 150.01 ± 0.11 K |
Ambient diffraction temperature | 150.01 ± 0.11 K |
Number of distinct elements | 6 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 n 1 |
Hall space group symbol | P -2yac |
Residual factor for all reflections | 0.3032 |
Residual factor for significantly intense reflections | 0.139 |
Weighted residual factors for significantly intense reflections | 0.3127 |
Weighted residual factors for all reflections included in the refinement | 0.4249 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4130869.html
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Users of the data should acknowledge the original authors of the
structural data.