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Information card for entry 7237271
Preview
Coordinates | 7237271.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C58 H52 F4 I2 N4 O8 S2 |
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Calculated formula | C58 H52 F4 I2 N4 O8 S2 |
Title of publication | Tuning the structural and spectroscopic properties of donor‒acceptor‒donor oligomers via mutual X-bonding, H-bonding, and π‒π interactions |
Authors of publication | Weldeab, Asmerom O.; Steen, April; Starkenburg, Daken J.; Williams, Jon Steven Dal; Abboud, Khalil A.; Xue, Jiangeng; Hammer, Nathan I.; Castellano, Ronald K.; Watkins, Davita L. |
Journal of publication | Journal of Materials Chemistry C |
Year of publication | 2018 |
Journal volume | 6 |
Journal issue | 44 |
Pages of publication | 11992 |
a | 8.1917 ± 0.0004 Å |
b | 9.5688 ± 0.0005 Å |
c | 18.0523 ± 0.001 Å |
α | 100.673 ± 0.0009° |
β | 91.6388 ± 0.0009° |
γ | 104.935 ± 0.0009° |
Cell volume | 1339.22 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0385 |
Residual factor for significantly intense reflections | 0.0251 |
Weighted residual factors for significantly intense reflections | 0.0499 |
Weighted residual factors for all reflections included in the refinement | 0.0525 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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