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Information card for entry 4003860
Preview
Coordinates | 4003860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 N2 O S3 |
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Calculated formula | C26 H30 N2 O S3 |
Title of publication | Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers |
Authors of publication | Grabicki, Niklas; Dumele, Oliver; Sai, Hiroaki; Powers-Riggs, Natalia E.; Phelan, Brian T.; Sangji, M. Hussain; Chapman, Craig T.; Passarelli, James V.; Dannenhoffer, Adam J.; Wasielewski, Michael R.; Stupp, Samuel I. |
Journal of publication | Chemistry of Materials |
Year of publication | 2021 |
Journal volume | 33 |
Journal issue | 2 |
Pages of publication | 706 - 718 |
a | 4.5558 ± 0.0004 Å |
b | 15.5895 ± 0.0015 Å |
c | 34.87 ± 0.003 Å |
α | 90° |
β | 93.504 ± 0.007° |
γ | 90° |
Cell volume | 2471.9 ± 0.4 Å3 |
Cell temperature | 299 ± 2 K |
Ambient diffraction temperature | 299.49 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0861 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1312 |
Weighted residual factors for all reflections included in the refinement | 0.1482 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4003860.html
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