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Information card for entry 1504262
Preview
Coordinates | 1504262.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H40 |
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Calculated formula | C60 H40 |
SMILES | c1cccc2c1C=C1[C@H](c3c2cccc3)[C@@H]2C(=Cc3ccccc3c3ccccc23)C2=Cc3ccccc3c3ccccc3[C@@H]2[C@@H]2C1=Cc1ccccc1c1ccccc21.c1cccc2c1C=C1[C@@H](c3c2cccc3)[C@H]2C(=Cc3ccccc3c3ccccc23)C2=Cc3ccccc3c3ccccc3[C@H]2[C@H]2C1=Cc1ccccc1c1ccccc21 |
Title of publication | Crystal structure of a cyclotetramer from a strained cyclic allene. |
Authors of publication | Mahlokozera, Tatenda; Goods, John B.; Childs, Adam M.; Thamattoor, Dasan M. |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 22 |
Pages of publication | 5095 - 5097 |
a | 25.789 ± 0.011 Å |
b | 10.154 ± 0.004 Å |
c | 15.75 ± 0.007 Å |
α | 90° |
β | 112.458 ± 0.007° |
γ | 90° |
Cell volume | 3812 ± 3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 2 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0832 |
Residual factor for significantly intense reflections | 0.0575 |
Weighted residual factors for significantly intense reflections | 0.1401 |
Weighted residual factors for all reflections included in the refinement | 0.1533 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/1504262.html
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