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Information card for entry 4026391
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Coordinates | 4026391.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 5,11-bis(methylthio)tetracene |
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Formula | C20 H16 S2 |
Calculated formula | C20 H16 S2 |
SMILES | c1(c2ccccc2cc2c(c3ccccc3cc12)SC)SC |
Title of publication | Bis(methylthio)tetracenes: Synthesis, Crystal-Packing Structures, and OFET Properties |
Authors of publication | Takakazu Kimoto; Kenro Tanaka; Masatoshi Kawahata; Kentaro Yamaguchi; Saika Otsubo; Yoshimasa Sakai; Yuuki Ono; Akira Ohno; Kenji Kobayashi |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 5018 - 5025 |
a | 8.7111 ± 0.0017 Å |
b | 8.7795 ± 0.0017 Å |
c | 19.621 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1500.6 ± 0.5 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0518 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Weighted residual factors for all reflections included in the refinement | 0.1247 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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