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Information card for entry 1504017
Preview
Coordinates | 1504017.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H20 O2 |
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Calculated formula | C28 H20 O2 |
SMILES | c1cccc2c1[C@](C1=C2[C@@](c2c1cccc2)(O)c1ccccc1)(O)c1ccccc1 |
Title of publication | Intramolecular reductive double cyclization of o,o'-bis(arylcarbonyl)diphenylacetylenes: synthesis of ladder pi-conjugated skeletons. |
Authors of publication | Zhang, Hongyu; Karasawa, Takashi; Yamada, Hiroshi; Wakamiya, Atsushi; Yamaguchi, Shigehiro |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 14 |
Pages of publication | 3076 - 3079 |
a | 8.94 ± 0.002 Å |
b | 10.89 ± 0.003 Å |
c | 10.079 ± 0.003 Å |
α | 90 ± 0.001° |
β | 95.4352 ± 0.001° |
γ | 90 ± 0.001° |
Cell volume | 976.8 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0407 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0779 |
Weighted residual factors for all reflections included in the refinement | 0.0804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1504017.html
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