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Information card for entry 4120548
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Coordinates | 4120548.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C126 H168 S9 |
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Calculated formula | C126 H168.01 S9 |
Title of publication | Multifunctional π-Expanded Macrocyclic Oligothiophene 6-Mers and Related Macrocyclic Oligomers. |
Authors of publication | Iyoda, Masahiko; Tanaka, Keita; Shimizu, Hideyuki; Hasegawa, Masashi; Nishinaga, Tohru; Nishiuchi, Tomohiko; Kunugi, Yoshihito; Ishida, Takayuki; Otani, Hiroyuki; Sato, Hiroyasu; Inukai, Koji; Tahara, Kazukuni; Tobe, Yoshito |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 6 |
Pages of publication | 2389 - 2396 |
a | 14.5307 ± 0.0013 Å |
b | 16.0648 ± 0.0014 Å |
c | 26.561 ± 0.002 Å |
α | 99.03 ± 0.007° |
β | 90.771 ± 0.006° |
γ | 107.277 ± 0.008° |
Cell volume | 5835.2 ± 0.9 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.236 |
Weighted residual factors for all reflections included in the refinement | 0.5506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.591 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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