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Information card for entry 1543164
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Coordinates | 1543164.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | compound 1 |
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Chemical name | 2,2',13,13'-tetra-tert-butyl-11,11'-bibenzo[b]perylenyl |
Formula | C71 H66 |
Calculated formula | C71 H66 |
SMILES | c1(cc(cc2c3cc(cc4c3c(cc12)c1cccc2cccc4c12)C(C)(C)C)C(C)(C)C)c1cc(cc2c3cc(cc4c5cccc6cccc(c(cc12)c34)c56)C(C)(C)C)C(C)(C)C.c1(ccccc1)C |
Title of publication | Synthesis and Photophysical Properties of a 13,13'-Bibenzo[b]perylenyl Derivative as a π-Extended 1,1'-Binaphthyl Analog. |
Authors of publication | Uchida, Yosuke; Hirose, Takashi; Nakashima, Takuya; Kawai, Tsuyoshi; Matsuda, Kenji |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 9 |
Pages of publication | 2118 - 2121 |
a | 11.5438 ± 0.0012 Å |
b | 13.25 ± 0.0013 Å |
c | 19.248 ± 0.002 Å |
α | 84.314 ± 0.002° |
β | 82.576 ± 0.003° |
γ | 64.917 ± 0.002° |
Cell volume | 2640.9 ± 0.5 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 2 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1067 |
Residual factor for significantly intense reflections | 0.0738 |
Weighted residual factors for significantly intense reflections | 0.2229 |
Weighted residual factors for all reflections included in the refinement | 0.2649 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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