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Information card for entry 4108174
Preview
Coordinates | 4108174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H45 O1.5 |
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Calculated formula | C60 H42 |
SMILES | c12c3c4c5c(c(c3ccc1ccc1c2c4c(c(c1C#Cc1cc(cc(c1)C)C)C#Cc1cc(cc(c1)C)C)cc5)C#Cc1cc(cc(c1)C)C)C#Cc1cc(cc(c1)C)C |
Title of publication | Multiethynyl Corannulenes: Synthesis, Structure, and Properties |
Authors of publication | Yao-Ting Wu; Davide Bandera; Roman Maag; Anthony Linden; Kim K. Baldridge; Jay S. Siegel |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 10729 - 10739 |
a | 7.4846 ± 0.0005 Å |
b | 43.341 ± 0.003 Å |
c | 13.6837 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4438.9 ± 0.5 Å3 |
Cell temperature | 260 ± 1 K |
Ambient diffraction temperature | 260 ± 1 K |
Number of distinct elements | 3 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1236 |
Residual factor for significantly intense reflections | 0.0819 |
Weighted residual factors for significantly intense reflections | 0.2341 |
Weighted residual factors for all reflections included in the refinement | 0.2663 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
Diffraction radiation wavelength | 0.71073 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/4108174.html
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