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Information card for entry 4133600
Preview
Coordinates | 4133600.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 |
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Calculated formula | C42 H34 |
SMILES | c1(c2c3ccccc3ccc2c2c3ccc4ccccc4c3c(c12)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Enhancement of Antiaromatic Character via Additional Benzoannulation into Dibenzo[ a, f]pentalene: Syntheses and Properties of Benzo[ a]naphtho[2,1- f]pentalene and Dinaphtho[2,1- a, f]pentalene. |
Authors of publication | Konishi, Akihito; Okada, Yui; Kishi, Ryohei; Nakano, Masayoshi; Yasuda, Makoto |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 1 |
Pages of publication | 560 - 571 |
a | 8.1411 ± 0.00015 Å |
b | 25.1404 ± 0.0005 Å |
c | 14.1594 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2898.01 ± 0.1 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 2 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.112 |
Residual factor for significantly intense reflections | 0.0654 |
Weighted residual factors for significantly intense reflections | 0.1515 |
Weighted residual factors for all reflections included in the refinement | 0.2054 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4133600.html
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